Index

Numerics

2D diagram, copy and paste of

3D (menu button in Draw window)

3D All Parameters button

3D...Add Constraints

3D...Centroid

3D...Define Nonbonded Contact

3D...Define Parameters

3D...Dummy Point

3D...Plane

3D...Query Options

3D...Vector

3D coordinates determined (filter)

3D image, copy and paste of

3D limits and options (dialogue box)

for constraining 3D parameters

for renaming 3D parameters

3D objects

centroids in nonbonded searching

centroids, defining

centroids, explanation

defining

defining parameters with respect to

deleting

displaying in the 3D visualiser

displaying in the Draw window

dummy points, defining

dummy points, explanation

list of valid

planes, defining

planes, explanation

use in 3D searching

vectors, defining

vectors, explanation

3D parameters

angles, constraining

angles, defining

atom labels

constraining for 3D searching

defining all

deleting

displaying in Draw window

displaying in the 3D visualiser

displaying values of in 3D visualiser

displaying values of in View Results

distances, constraining

distances, defining

involving objects

involving only atoms

labels

list of valid

mathematical functions of

measuring in 3D visualiser

naming

output of

renaming

setting limits

tabulating

torsions, constraining

torsions, defining

3D substructure searching

hints

hydrogen atoms in

pharmacophore searching

typical uses

3D visualiser

contrast

copy and paste of 2D image

display of disordered atoms

display styles

field of view

highlighting styles

labelling atoms

make hit fragment transparent

measuring geometry

movement

nonbonded contacts display 1, 2

orthographic projection

packing

perspective projection

picking mode

reset

rotation

Save as JPEG

save current setting

scale

selection

show circles for aromatics

thicken wireframe

translation

wireframe for move

A

Absolute configuration

chiral space groups

explanation

Flack parameter

internal comparison

Rogers parameter

searching for

Sohncke groups

accession date, using to restrict a search

Acetylacetonato ligands

Acrobat Reader

Acyclic atoms

Acyclic bonds

Add 3D (button in Draw window)

Add Constraints (option in Draw window)

Adding

hydrogen atoms

ring, to a blank drawing area

ring, to an atom in an existing substructure

Adobe Acrobat Reader

Advanced Options (in Search Setup dialogue box) 1, 2

all geometric parameters, defining

All Text (button in Build Queries)

combining with Required Fields searches

hints

typical uses

All text (pane in view results)

Alternative settings of space groups

AND (Boolean operation in Combine Queries)

Angle

constraint in 3D substructure search

defining for tabulation or 3D searching

displaying in Draw window

displaying value of in View Results

measuring in 3D visualiser

tabulating

Anorthic crystal system

explanation

searching for

Any bond type

Any element type

Any, in Distance Type dialogue box

Aromatic bonds

Aspect symbols

explanation

searching on

Asymmetric unit

Atom coordination numbers

Atom cyclicity

Atom label

CSD conventions

displaying in visualiser

tabulating

Atom properties

Atom type, in substructure searching

Any

changing for existing atoms

pre-set groups

setting when drawing substructures

variable (Markush)

Atomic charge

CSD conventions

setting in substructure search

Atomic coordinates

output of

Atomic coordination number

Atomic displacement parameter

Atoms (menu button in Draw window)

Atoms...All Atoms in Same Molecule

Atoms...Charge

Atoms...Cyclicity

Atoms...Elements

Atoms...Hydrogens

Atoms...Number of Bonded Atoms

Atoms, all in same molecule

Author/Journal searching

hints

typical uses

Authors’ names

combining names

CSD conventions

exact surname

initials

searching on

Average e.s.d. of C-C bonds

explanation

searching on

Average sigma (C-C)

explanation

searching on

Azides

B

Benzoporphines

Best representative, restricting searches to

Bibliographic search

Biological activity

searching for

Bond angle

constraint in 3D substructure search

defining for tabulation or 3D searching

displaying in Draw window

displaying value of in View Results

measuring in 3D visualiser

tabulating

Bond cyclicity

Bond length

constraint in 3D substructure search

defining for tabulation or 3D searching

displaying in Draw window

displaying value of in View Results

measuring in 3D visualiser

tabulating

Bond properties

Bond type conventions

aromatic bonds

delocalised bonds

metal carboxylates

metal-metal bonds

pi-bonds

polymeric bonds

Bond type, specifying in substructures

Any

changing

setting

variable

Bonds (menu button in Draw window)

Bonds...Cyclicity

Bonds...Exclude

Bonds...Type

Bonds...Variable Attachment

Boolean operations on queries

complex

simple (AND only)

Boolean operators, explanation

Boxes

dialogue

for entering data

Bridged rings, avoiding

Buerger cell

Build Queries

Build Queries buttons

All Text

Author/Journal

Draw

Edit

Elements

Experimental

Formula

Name/Class 1, 2

Options

Peptide

Refcode (entry id)

Results

Space Group

Unit Cell

View Databases

Z/Density

Building Queries

Buttons, greyed out

C

Calculated density, definition

Calculated density, searching on

hints

need to specify range

typical uses

Calixarenes

Cambridge Structural Database

chemical coverage

content

literature coverage

refcodes

related databases

statistics

typical entry

Cancelling searches

Carboxylates

Cartesian coordinates, output of

Case sensitivity

Catena structures

Catenanes

Cell parameter searching

choosing between reduced and non-reduced

combining queries

hints

lattice type required

non-reduced cell searches

reduced cell searches

tolerance

typical uses

Cell parameters, explanation

Centroid

defining

explanation

in 3D searches

in nonbonded contact searches

Charge, atomic

CSD conventions

setting in substructure search

Chemical class searches, combining with compound name searches

chemical class searching

combining with compound name searches

typical uses

Chemical diagram

atom properties

bond properties

Detach Diagram

display of

Use as Query

Chemical element searching

element groups

heaviest allowed element

hints

other elements allowed

same molecule or same structure

typical uses

Chemical elements, selecting in Draw window

Chemical formula conventions

Chemical formula searching

element group symbols in

hints

individual molecule or complete structure

other elements allowed

typical uses

Chemical groups

use of, in Draw window

Chemical groups, for use in substructure drawing

adding

changing an atom to

expanding

symbols

viewing

Chemical properties, searching for

Chemical units (molecules, ions, etc)

explanation

searching on

Chinese names

Chiral space groups

Chiral space groups, searching for

CIF

CIF-access papers

format

saving as

CIFMIF format

saving as

Classroom ConQuest

Classroom subset

restricting searches on

Clathrates

Clear Subset

Closest Atom (option in nonbonded contact searches)

colour of crystal, searching for

Combine Queries

Combining hitlists

annotating

deleting

reading

renaming

restoring

saving

viewing

Combining queries

complex combinations

simple combinations (AND only)

Comments in CSD

searching for

Compound name conventions

keywords indicating structure type

Compound name searches, combining with chemical class searches

Compound name searching

combining with chemical class searches

hints

typical uses

Contacts between groups

based on distance between centroids

based on distance between closest atoms

defining groups

Contacts, searching for nonbonded

between atoms

between groups

correcting hydrogen atom positions

distance limits

hints

intermolecular

intramolecular

typical uses

viewing in 3D visualiser

Contrast, in 3D visualiser

COORD format

saving as

Coordinates

Cartesian (orthogonal), output of

fractional, explanation

fractional, output of

Coordination geometry

Coordination number, atomic

Copy (Edit option in Draw window)

copy and paste

2D diagram/image

3D image

Crosses, in View Results refcode list

Cross-referencing, between entries

Crystal chemical unit

crystal colour, searching for

Crystal density, definition

Crystal density, searching on

hints

need to specify range

typical uses

Crystal form

explanation

Crystal growth conditions

Crystal habit

searching for

Crystal packing, viewing in 3D visualiser

Crystal properties

density

form

habit

polymorphism

searching for

Crystal source

searching for

Crystal system

explanation of

searching on

CRYSTMET (Metals and Alloys Crystallographic Database)

CSD

chemical coverage

content

literature coverage

refcodes

related databases

statistics

typical entry

Cubic crystal system

explanation

searching for

Current bond type

Current element type

Customisation, of 3D visualiser settings

Customised templates

Cut (Edit option in Draw window)

Cyclic atoms

Cyclic bonds

avoiding unwanted

specifying

Cyclicity, definition

Cyclopentadienyl systems

Cyclophanes

D

Data updates

Database subset

Database, in-house

building

searching

viewing

Default results pane

defining all geometric parameters

Defining geometric objects

Defining geometric parameters

Delete Selected (Edit option in Draw window)

Deleting

atoms

bonds

geometric objects

hitlist combinations

parameters

queries

Delocalised double bonds

Density, definition

Density, searching on

hints

need to specify range

typical uses

deposition numbers

searching for

Deposition numbers

explanation

Deselect All (option in View Results refcode list)

Detach Diagram

Detach results pane

Deuterated species

conventions

searching for

diagram, chemical

copy and paste of

Diagram, chemical

atom properties

bond properties

display of

Dialogue Boxes, general use of

Dinucleotides

Direct links, prohibiting between atoms in substructure

disordered atoms, controlling the display of

Disordered structures

excluding

explanation

Display

3D

chemical diagram 1, 2

geometric parameters

hydrogen atoms

substructure

Distance

between disconnected substructures

constraint in 3D substructure search

constraint in pharmacophore searching

defining for tabulation and 3D searching

displaying in Draw window

displaying value of in View Results

measuring in 3D visualiser

nonbonded contact

tabulating

Distance Type dialogue box

Distances, defining

Dithiocarbamates

Draw

button in Build Queries

button in Draw window

Draw window

closing

DRAW mode

EDIT mode

Drawing area

Drawing options

Drawing substructures

atoms

bonds

chemical groups

default options

deleting atoms and bonds

duplicating

groups

moving atoms and substructures

pasting in from ISIS/Draw

resizing

rings

rotating

saving

selecting atoms and bonds

templates

undoing mistakes

using as customised templates

Drawing, basic guide to

Drug activity

searching for

Dummy point

defining

explanation of

use in 3D searches

Duplicating substructures

E

Edit

Edit...Copy

Edit...Cut

Edit...Delete Selected

Edit...Invert Selection

Edit...Paste

Edit...Restore Hitlists

Edit...Select All

Edit...Undelete Queries

Edit...Undo

keyboard shortcuts

menu command in main window

mode in Draw window

Editing queries

Editorial comments

Electrides

Element groups

in element searching

in formula searching

in substructure searching

listing of symbols

Element searching

element groups

heaviest allowed element

hints

other elements allowed

same molecule or same structure

typical uses

Element type, in substructure searching

Any

changing for existing atoms

pre-set groups

setting when drawing substructure

variable (Markush)

Enantiomer inversion

Entry boxes

Entry ID

explanation

searching on

ERASE button in Draw window

Erasing

Errors

excluding entries with

in CSD

in input box, use of pink to indicate

Esd of C-C Bonds, average

explanation

searching on

Exact surname (option in Author search)

Excel, saving data for analysis in

Exclude

disordered structures

structures from powder diffraction studies

structures with unresolved errors

unwanted bonds

Experimental details, searching on

hints

typical uses

Export Entries as

Export parameter and data summary

Export Vista Files

F

Fdat format

saving as

File

File...Export Entries as

File...Export Parameters and Data

File...Export Vista Files

File...Import Template

File...Open Hitlist Combination

File...Open Refcode List

File...Open Search

File...Read Queries

File...Save Queries

File...Save Search

File...Save Search as

File...Save Template

File...View in Excel

File...View in Vista

File...Write PDF file to view/print

formats

keyboard shortcuts

Filters

setting

typical uses

Find entries that

must have (in Combine Queries)

must have at least one of (in Combine Queries)

must not have (in Combine Queries)

Find exact word only (option in compound name search)

Flack parameter

Form of crystal

explanation

searching for

Formats

Formula conventions

Formula searching

element group symbols in

hints

individual molecule or complete structure

other elements allowed

typical uses

Fractional coordinates

explanation of

output of

Fullerenes

Fused rings, avoiding

Fusing

chemical fragments

rings

G

Generating hydrogen atoms in substructures

Geometric constraints

in 3D substructure searches

in nonbonded contact searches

Geometric objects

centroids in nonbonded searching

centroids, defining

centroids, explanation

defining

defining parameters with respect to

deleting

displaying in 3D visualiser

displaying in the Draw window

dummy points, defining

dummy points, explanation

list of valid

planes, defining

planes, explanation

use in 3D searching

vectors, defining

vectors, explanation

Geometric parameters

angles, constraining

angles, defining

atom labels

constraining for 3D searching

deleting

displaying in 3D visualiser

displaying in Draw window

displaying values of in 3D visualiser

displaying values of in View Results

distances, constraining

distances, defining

involving objects

involving only atoms

labels

list of valid

mathematical functions of

measuring in 3D visualiser

naming

output of

renaming

setting limits

tabulating

torsions, constraining

torsions, defining

Greyed-out buttons

Groups, for use in nonbonded searches

defining

definition of nonbonded contact between

Groups, for use in substructure drawing

adding

changing an atom to

expanding

symbols

use of, in Draw window

viewing

H

Habit

searching for

Heaviest element in structure

Hexagonal crystal system

explanation

searching for

Highlighting styles, selecting in visualiser

Hit as capped stick, in 3D visualiser

Hitlist combination

annotating

deleting

reading

renaming

restoring

saving

viewing results

Hybridisation state, setting of

Hydrate

Hydrogen atoms

accurate location from neutron diffraction

adding automatically to substructure

adding manually to substructure

correction of positions

display

generating

in 3D substructure searches

missing

normalisation

poor precision of

Hydrogen bonds

correcting hydrogen atom positions

effect of poor hydrogen-atom precision

searching for

hyperlink, deposition number

Hyperlinking, between entries

I

ICSD (Inorganic Crystal Structure Database)

Ignore non-alphabetic character (option in Compound Name search)

Import Template

Inactive buttons

In-house database

building

searching

viewing

Initials of authors, treatment of

Inorganic Crystal Structure Database (ICSD)

Input boxes

Intermolecular contacts, searching for

Internal Comparison

Intramolecular contacts, searching for

Invert Selection (Edit option in Draw window)

Invert selection of suppressed entries

ISIS/DRAW, pasting in substructures from

Isolated ring

IUCr, button in Author/Journal pane

J

Journal name

abbreviations

changes to 1, 2

searching on

valid years

Journal page

conventions

searching on

Journal volume

conventions

searching on

Journal year

searching on

JPEG, saving as

K

Keyboard shortcuts

Keywords

in compound names

physicochemical properties

searching for

L

Label, of atom

CSD conventions

displaying in visualiser

tabulating

Lattice type

explanation

searching on

Limits for 3D parameters, setting in Draw window

Links, excluding

Literature

coverage

reference, searching on

LitLink

button in Author/Journal pane

Logical operations on queries

complex

simple (AND only)

Logical operators, explanation

M

Managing hitlists

Markush atoms

Mathematical operators

Measurement of dimensions, in 3D visualiser

melting point, searching for

Mercury

viewing results in

Metal carboxylates

Metal-metal bonds

Metals and Alloys Crystallographic Database (CRYSTMET)

MIF extensions to CIF format

Modes in Draw window

modification date, using to restrict a search

Mol (sd) format

saving as

Mol2 format

saving as

Molecule

Molecule display in 3D

Monitoring progress during a search

Monoclinic crystal system

explanation

searching for

Moving molecules, in visualiser

Moving substructures, in Draw window

Multiple hit fragments

N

Name, compound

CSD conventions

keywords

searching for

Name, journal

abbreviations

changes to 1, 2

searching on

valid years

Naming

3D parameters in Draw window

searches

Natural products

NDB (Nucleic Acid Database)

Neutron diffraction

advantages of

searching on

Niggli cell

No cyclic routes

No direct links

No errors (filter)

No ions (filter)

No powder structures (filter)

Nonbonded contacts between groups

based on distance between centroids

based on distance between closest atoms

defining groups

Nonbonded contacts, searching for

between atoms

between groups

correcting hydrogen atom positions

distance limits

hints

intermolecular

intramolecular

typical uses

viewing in 3D visualiser

Normalisation of hydrogen atom positions

NOT (Boolean operation in Combine Queries)

Not disordered (filter)

Not polymeric (filter)

Nucleic Acid Database (NDB)

Number of atoms with 3D coordinates

explanation

searching on

Number of bonded atoms

Number of chemical units (molecules, ions, etc)

explanation

searching on

Number of matches

Number of molecules per asymmetric unit (Z’)

explanation of

searching on

Number of molecules per unit cell (Z)

explanation of

searching on

Number of residues (molecules, ions, etc)

explanation

searching on

O

Objects

centroids, defining

centroids, explanation

centroids, in nonbonded searching

defining

defining parameters with respect to

deleting

displaying

displaying in the 3D visualiser

dummy points, defining

dummy points, explanation

list of valid

planes, defining

planes, explanation

use in 3D searching

vectors, defining

vectors, explanation

Occupancy factor

Only Organics (filter)

Only Organometallics (filter)

Open Search

Operators

logical, application of

logical, explanation

mathematical

Options

drawing

menu in Draw window

menu in main window

Options...Drawing Options

Options...Snap to Grid

OR (Boolean operation in Combine Queries)

Organics

definition

filtering on

Organometallics

definition

filtering on

Orthogonal coordinates, output of

Orthorhombic crystal system

explanation

searching for

Other atoms allowed (option in Formula search)

Other elements allowed (option in Element search)

Output

formats

of data for analysis in Vista, Excel, etc.

of individual structures

of lists of structures

of PDF file for printing

of queries

of search results

P

Packing diagrams

Page, journal

conventions

searching on

Parameter limits

Parameters

displaying in the 3D visualiser

displaying values of in 3D visualiser

Parameters, geometric

angles, constraining

angles, defining

atom labels

constraining for 3D searching

defining all

deleting

displaying in Draw window

displaying values of in View Results

distances, constraining

distances, defining

involving objects

involving only atoms

labels

list of valid

mathematical functions of

measuring in 3D visualiser

naming

output of

renaming

setting limits

tabulating

torsions, constraining

torsions, defining

Paste (Edit option in Draw window)

PDB (Protein Data Bank)

PDB format

saving as

PDF format

Peptide searching

chemically modified amino acid residues

hints

specific sequences

typical uses

using the dialogue box

variable amino acid residues

Peptides

Periodic Table

in Draw window

in element searching

in formula searching

Pharmacophore searching

Phthalocyanines

Physicochemical properties

searching for

Pi-bonds

Pink, use to indicate errors

Planes

defining

explanation

in 3D searches

Polymeric bonds

Polymeric structures

Polymorphism

explanation

restricting searches to best representative

searching for

Postscript format

Powder data

explanation

searching for

Powder structures

excluding

Precision of structure determination

pre-defined list

using to restrict a search

PreQuest

pressure of structure study, searching for

Printing

Private communications to CSD

Progress bar, for searches

Proprietary database

building

searching

viewing

Protein Data Bank (PDB)

Q

Queries

building

combining

complex

deleting

editing

examples of

icons

reading

saving

simple

R

Radiation source

radiation source used for structure determination, searching for

Radicals

Read Queries

Reading

customised templates

hitlist combinations

MDL MOL files

queries

refcode lists

searches

standard templates

Reduced cell parameters

Reduced cell searching

hints

lattice type required for

tolerance

typical uses

Refcode

deuterated species

families, searching on

hyperlinking

list of, in View Results

list of, searching

reading file of

saving file of

searching on

stereoisomers

Reference, searching for journal

Remarks in CSD

searching

Renaming 3D parameters in Draw window

Required Fields searching

combining with All Text searches

hints

Resizing substructures

Restricting geometric parameters

R-factor

as a guide to accuracy

definition

filter

searching on

Rhombohedral crystal system

explanation

searching for

Rhombohedral space group symbols

Ringmaker (button in Draw window)

Rings

adding to blank area

adding to existing atom

bridged, avoiding

drawing

fused, avoiding

fusing

spiro fusion

templates

Rogers parameter

Room temperature

Rotating molecules, in visualiser

Rotating substructures

Rotaxanes

S

Save Queries

Save Template

Saving

3D view

data for analysis in Vista, Excel, etc.

hitlist combinations

individual structures

JPEG file

lists of structures

print file

queries

refcode lists 1, 2

search results

templates

visualiser settings

Scaling molecules, in visualiser

sd format

saving as

Search button

Search Results

viewing

Search Save

Search Save as

Search Setup

Searches

cancelling

in-house databases

monitoring progress

naming

reading

restricting to a particular CSD release

restricting to a particular date

saving

starting

stopping

subsets

switching between

using accession date

using modification date

viewing results of

viewing results of, in Mercury

Searching

restricting to a particular CSD release

restricting to a particular date

restricting to pre-defined hitlists

using accession date

using modification date

using pre-defined hitlists

Select All (Edit option in Draw window)

Select All (option in View Results refcode list)

Select Subset

Selecting

atoms and bonds in Draw window

individual structures for viewing

Setting parameter limits

SHELX format

saving as

Shortcuts, keyboard

Shorter than sum of VdW radii, option in nonbonded searching

Show parameters (option in View Results)

Show substructure matches

Sigma (C-C), average

explanation

searching on

SMILES string

output of

saving

saving as

Snap to grid

Sohncke groups

Sohncke space groups, searching for

Solvates

conventions

searching for

Source of crystal

searching for

Space Group (button in Build Queries)

Space group searching

alternative settings

aspect symbols

for Sohncke or chiral space groups

hints

partial symbols

ranges

rhombohedral settings

typical uses

Space groups

Spiro fusion of rings

Starting searches

Statistical analysis of search results

statistical bias, restricting searches to best representative of a structure

Statistics of CSD

Stopping Searches

Store

Structures

saving individual

saving lists of

suppressing unwanted

viewing in 3D

Structures with unresolved errors

excluding

Subsets, searching

Substructure searching

hints

typical uses

Substructure searching, 3D

hints

pharmacophores

typical uses

Substructures

3D

atom coordination number

atom cyclicity

atom properties

atomic charge

bond cyclicity

bond types

charge

chemical groups, adding

chemical groups, changing an atom to

chemical groups, expanding

chemical groups, using

correcting errors

deleting atoms and bonds

display conventions

drawing

duplicating

element groups (preset)

element groups (user defined)

element type

fusing

geometric tests on

groups, adding

groups, changing an atom to

groups, expanding

groups, using 1, 2

hydrogens

moving

number of bonded atoms

pasting in from ISIS/DRAW

pharmacophores

reading

resizing

rings

rotating

saving

selecting atoms and bonds

templates, customised

templates, saving and reading

templates, using

undoing mistakes

variable bond types

variable element types

variable point of attachment

Suppressing unwanted entries

invert selection

Suppression of atoms

supressing disordered atoms, 3D visualiser option

Switching between searches

Symmetry check

T

Tabulating geometries

defining parameters for tabulation

hints

saving geometries for tabulation in other programs

typical uses

Temperature factor

Temperature of structure determination

Temperature, room

Templates, for use in substructure drawing

customised

importing

ring

saving

use of, in Draw window

viewing

Tetragonal crystal system

explanation

searching for

Text information, saving

Text information, searching for

Text information, searching on

hints

typical uses

Thermal parameter

Thiocarboxylates

Thioxanthates

Ticks, in View Results refcode list

Tolerance value

drawing option

in unit cell searching

Torsion angle

constraint in 3D substructure search

defining for tabulation and searching

displaying in Draw window

displaying value of in View Results

explanation

measuring in 3D visualiser

tabulating

Translating molecules, in visualiser

Translating substructures, in Draw window

Trefoil knots

Triclinic crystal system

explanation

searching on

Trigonal crystal system

explanation

searching on

Trinucleotides

Trivial names

TSV-tab separated values

saving as

TXT format

Type, bond

CSD conventions

specifying

Type, element

U

Undelete (Edit option)

Undo (Edit option in Draw window)

Unit cell contents (Z,Z’), searching on

hints

typical uses

Unit Cell Parameters, explanation

Unit cell searching

choosing between reduced and non-reduced

combining queries

hints

lattice type required

non-reduced cell searches

reduced cell searches

tolerance

typical uses

Unit cell, displaying in 3D visualiser

Unresolved errors in entries

excluding

Unwanted bonds and rings

Unwanted entries, suppressing

Updates, of CSD data

Use as Query (chemical diagram)

V

van der Waals radii

list of

setting

use of in nonbonded searching

Variable bond types

explanation

setting in substructure

Variable element types

explanation

pre-set groups

setting in element search

setting in formula search

setting in substructure

Variable point of attachment

Vectors

defining

explanation

in 3D searches

View Databases

View Results

3D Visualiser

current entry

hitlist combination

progress bar

refcode list

Stop Search button

suppressing unwanted entries

Viewing

individual structures

search results

Virtual database

Vista

saving data for analysis in

Visualiser

contrast

display styles

field of view

highlighting styles

labelling atoms

make hit fragment transparent

measuring geometry

movement

nonbonded contacts display

orthographic projection

packing

perspective projection

picking mode

reset

rotation

Save as JPEG

save current setting

scale

selection

show circles for aromatics

thicken wireframe

translation

wireframe for move

Volume, journal

conventions

searching on

W

Writing PDF files

X

Xanthates

Y

Year

Year of publication

Z

Z value, explanation of

Z value, searching on

typical uses

Z/Density (button in Build Queries)

Z’ value, explanation of

Z’ value, searching on

hints

typical uses

Zooming molecules, in visualiser