Sep 13 2018 Feedback.
Contents
 
Help Videos
Reference Guide
 Graphics Reference Guide
 ICM-Browser-Pro Guide
 ActiveICM Guide
 ICM-Chemist Guide
  Import, Sketch, and Edit
  Chemical Spreadsheets
  Chemical Search
  Pharmacophores
  Clustering
  Stereoisomers and Tautomers
  Combinatorial Libraries
  Plots and Histograms
 ICM-Chemist-Pro Guide
 Menu Option Guide
 Tab Guide
Getting Started
Protein Structure
Molecular Graphics
Slides & ActiveICM
Cheminformatics
Learn and Predict
MolScreen
3D Ligand Editor
Tables and Plots
Local Databases
KNIME
Tutorials
 
Index
PrevICM User's Guide
2.4 ICM-Chemist Reference Guide
Next

[ Import, Sketch, and Edit | Chemical Spreadsheets | Chemical Search | Pharmacophores | Clustering | Stereoisomers and Tautomers | Combinatorial Libraries | Plots and Histograms ]

2.4.1 How to Import, Sketch, and Edit Chemicals


How to Import, Sketch, and Edit Chemicals
How to load the ICM Molecular Editor. HTML GUI Manualvideo
How to sketch chemicals in the ICM Molecular Editor. HTML GUI Manualvideo
How to save a 2D sketch into a chemical spreadsheet. HTML GUI Manual video
How to save a 2D sketch in mol format. HTML GUI Manual video
How to use SMILES strings to sketch a chemical. HTML GUI Manual video
How to load a mol, sdf or mol2 file. HTML GUI Manual video
How to extract a 2D sketch of a ligand in complex with a PDB structure. HTML GUI Manual video

2.4.2 How to Work with Chemical Spreadsheets


Working with Chemical Spreadsheets
How to add columns into a chemical spreadsheet.HTML GUI Manual video
How to sort a column(s) in a chemical spreadsheet.HTML GUI Manual video
How to change the view of a chemical spreadsheet - form, table and grid.HTML GUI Manual video
How to copy, cut and paste columns and rows in a chemical spreadsheet.HTML GUI Manual video
How to show and hide columns and rows in a chemical spreadsheet.HTML GUI Manual video
How to save a chemical spreadsheet in sdf format.HTML GUI Manual video
How to export your chemical spreadsheet into Excel.HTML GUI Manual video
How to print a chemical spreadsheet.HTML GUI Manual video
How to filter columns in a chemical spreadsheet.HTML GUI Manual video
How to use find and replace in a chemical spreadsheet.HTML GUI Manual video
How to mark and label rows in a chemical spreadsheet.HTML GUI Manual video
How to insert hyperlinks to the PDB, PubMed, and Uniprot.HTML GUI Manual video
How to copy and paste 2D chemicals.HTML GUI Manual video
How to edit data inside a chemical spreadsheet.HTML GUI Manual video
How to remove salts, explicit hydrogens and standardize chemical groups.HTML GUI Manual video
How to calculate chemical properties in a chemical spreadsheet.HTML GUI Manual video
How to identify duplicate chemicals in a chemical spreadsheet.HTML GUI Manual video
How to compare two chemical spreadsheets.HTML GUI Manual video
How to merge two chemical spreadsheets.HTML GUI Manual video

2.4.3 How to Undertake a Chemical Search


How to Perform Chemical Searching
How to setup a chemical search.HTML GUI Manual video
How to draw a chemical search query.HTML GUI Manual video
How to add conditions to your chemical search.HTML GUI Manual video
How to search chemical spreadsheets, local databases and MolCart.HTML GUI Manual video
How to send a chemical search query.HTML GUI Manual video

2.4.4 How to Work with Pharmacophores


How to Work with Pharmacophores
How to draw 2D pharmacophore. HTML GUI Manual video
How to search a 2D pharmacophore. HTML GUI Manual video
How to draw 3D pharmacophore. HTML GUI Manual video
How to extract a 3D pharmacophore from a ligand. HTML GUI Manual video
How to edit a 3D pharmacophore. HTML GUI Manual video
How to send a 3D pharmacophore search query. HTML GUI Manual video
How to color a 2D chemical sketch by pharmacophore feature. HTML GUI Manual video

2.4.5 How to Perform Chemical Clustering


How to Perform Chemical Clustering
How to perform chemical clustering.HTML GUI Manual video
How to select representative centers from a tree.HTML GUI Manual video
How to reorder branches and change the distance of trees.HTML GUI Manual video
How to edit the tree - labels, spacing and coloring.HTML GUI Manual video

2.4.6 How to Generate Stereoisomers and Tautomers


How to Generate Stereoisomers and Tautomers
How to generate stereoisomers.HTML GUI Manual video
How to generate tautomers.HTML GUI Manual video

2.4.7 How to Generate Combinatorial Libraries


How to Generate Combinatorial Libraries
How to enumerate a Markush library.HTML GUI Manual video
How to decompose a library based on a Markush structure.HTML GUI Manual video
How to create a Markush structure.HTML GUI Manual video
How to enumerate a chemical library by reaction.HTML GUI Manual video

2.4.8 How to Generate Plots and Histograms


How to Generate Plots and Histograms
How to make a histogram. HTML GUI Manual video
How to make an X-Y scatter plot. HTML GUI Manual video


Prev
Web
Home
Up
Next
ICM-Chemist-Pro Guide

Copyright© 1989-2018, Molsoft,LLC - All Rights Reserved.
This document contains proprietary and confidential information of Molsoft, LLC.
The content of this document may not be disclosed to third parties, copied or duplicated in any form,
in whole or in part, without the prior written permission from Molsoft, LLC.