Contents
Introduction
Reference Guide
ICM options
Editing
Graph.Controls
Alignment Editor
Constants
Subsets
Molecules
Selections
Regexp
Tree cluster
Arithmetics
Flow control
MolObjects
Energy Terms
Integers
Reals
Logicals
Strings
Preferences
Tables
Other
Chemical
Smiles
Soap
Gui programming
Commands
Functions
Macros
Files
User's Guide
References
Glossary
Index

Reading/Writing Chemical Arrays and Tables

read table mol reads chemical table from file

write table mol writes chemical table to file

Smiles conversion

converts smiles to chemical array

converts chemical array to smiles

Conversion from loaded 3D objects

converts 3D selection to chemical array

converts chemical to 3D

converts chemical to 3D and optimize

converts loaded object to 3D and optimize

converts loaded object to 3D ICM object, preserve coordinates

Modifying chemicals

modify chemical perform chemical group modifications on chemical arrays

apply 2D depiction

Generating chemicals. Virtual chemistry

Markush library generation

Chemical reactions

Comparing, Searching and Chemical Matching

searching in chemical tables

search in Molcart databases

search in loaded 3D objects

chemical distance/similarity

Other chemical search related functions

Nof chemical

Index chemical

Predicting chemical properties

Predict

Chemical superposistion

superimpose Rmsd Srmsd

chemSuper3D

Pharmacophore analysis

pharmacophore search

superimpose

Rmsd

create pharmacophore

Batch chemical processing,

_chemBatch