1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
|
Open Babel Tools, version 2.1
-----------------------
This directory contains a selection of ready-to-use tools for a
variety of tasks in molecular modeling, cheminformatics, and related
areas. Most are designed as command-line utilies for any operating
system.
* babel Interconvert between over 70 file formats
* obchiral Generate
* obfit Overlay
* obgen Developmental tool to generate 3D coordinates for SMILES
* obgrep Chemical searching using SMARTS patterns
* obprop Generate lists of properties for molecular files
* obrotamer Generate random rotamer/conformer coordinates
* obrotate Rotate dihedral angles defined by particular SMARTS patterns
* obxyz Modify Cartesian XYZ coordinates, including
rotation, translation, etc.
|
