This is the command obconformer 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
obconformer — generate conformer coordinates
SYNOPSIS
obconformer # of conformers # of optimization steps filename
DESCRIPTION
The obconformer tool can be used as part of a conformational study by generating random
conformers using a Monte Carlo search. The best conformer out of the batch of conformers
will be output, after taking the supplied number of geometry optimization steps. By default,
obconformer uses the MMFF94 force field.
EXAMPLES
obconformer 250 100 baseconformer.sdf >rotamer1.sdf
Generate the best conformer (out of 250) of baseconformer.sdf and write it to rotamer1.sdf
after 100 geometry optimization steps
Use obconformer online using onworks.net services
