Copyright © 2020, Molsoft LLC
Jun 5 2024
| Contents |
|---|
| Introduction |
| Reference Guide |
| Command Line User's Guide |
| References |
| Glossary |
| Index |
| Table of contents |
- Introduction
- Reference Guide
- ICM command line options
- Command line editing
- Graphics controls
- Editing pairwise sequence-structure alignments
- Constants
- Subsets and Index Expressions
- Molecule intro
- Selections
- Chemical Fingerprints
- Regular expressions (regexp)
- CGI programming using ICM scripting language
- Parsing XML example: DrugBank.
- Hierarchical cluster trees
- Arithmetics
- Flow control
- ICM molecular objects
- Energy and Penalty Terms
- Integer shell parameters
- Real shell variables
- Logical variables
- String variables
- Preferences
- Tables
- Other shell variables
- Chemical arrays and tables. Operations, virtual chemistry.
- SMILES and SMARTS
- Chemical Functions
- MolLogP
- MolLogS
- Chemical Synthetic Accessibility
- SOAP services and communications
- Creating your own GUI elements: Programming GUI.
- Commands
- Functions
- ICM shell macro-like functions
- Macros
- Files
- Command Line User's Guide
- ICM-shell
- ICM graphics
- Structure analysis
- Sequence, searches and alignments
- Molcart
- Pharmacophores
- Energetics and electrostatics
- Manipulations with molecules
- Animation
- Transformations and symmetry
- Maps and factors
- How to plot
- How-to: Docking and Virtual Ligand Screening
- Example scripts
- Chemical Superposition using APF - Ligand Based Screening
- PROTAC Model (protacModel.icm)
- Chemical Conformational Generator
- RIDGE
- RIDE
- References
- Glossary