Last modified: 2014-06-24 07:29:31 UTC
http://packages.ubuntu.com/precise/science/openbabel I'd like to be able to convert molecules. Thanks in advance.
Change 141566 had a related patch set uploaded by Yuvipanda: tools: Install openbabel https://gerrit.wikimedia.org/r/141566
This package includes the following utilities: * babel: Convert between various chemical file formats * obenergy: Calculate the energy for a molecule * obminimize: Optimize the geometry, minimize the energy for a molecule * obgrep: Molecular search program using SMARTS pattern * obprop: Print standard molecular properties * obfit: Superimpose two molecules based on a pattern * obrotamer: Generate conformer/rotamer coordinates * obchiral: Print molecular chirality information * obrotate: Rotate dihedral angle of molecules in batch mode
Change 141566 merged by Dzahn: tools: Install openbabel https://gerrit.wikimedia.org/r/141566
Start-Date: 2014-06-23 23:38:54 Commandline: /usr/bin/apt-get -q -y -o DPkg::Options::=--force-confold install openbabel Install: libopenbabel4:amd64 (2.3.0+dfsg-3ubuntu3, automatic), openbabel:amd64 (2.3.0+dfsg-3ubuntu3) End-Date: 2014-06-23 23:39:01 root@tools-exec-03:~# babel No output file or format spec! Open Babel 2.3.0 -- Dec 17 2011 -- 16:15:08 Usage: babel [-i<input-type>] <name> [-o<output-type>] <name>
Looks good! Thank you!
