This is the command obrotamer that can be run in the OnWorks free hosting provider using one of our multiple free online workstations such as Ubuntu Online, Fedora Online, Windows online emulator or MAC OS online emulator
PROGRAM:
NAME
obrotamer — generate conformer/rotamer coordinates
SYNOPSIS
obrotamer filename
DESCRIPTION
The obrotamer tool can be used as part of a conformational search by generating random
isomers based on rotating dihedral angles. These rotamers are not conformers -- that is,
obrotamer does not perform geometry optimization after generating the rotamer structure. The
obminimize tool can do geometry optimization using molecular mechanics.
EXAMPLES
obrotamer baseconformer.sdf >rotamer1.sdf
Generate a random rotational isomer of baseconformer.sdf and write it to rotamer1.sdf
Use obrotamer online using onworks.net services
