Hi, I would like to search conformers for a few hundred molecules. It would be very time consuming to submit jobs one by one. I am wondering whether I can create a script to submit all the molecules at the same time? Is it possible to submit jobs in Linux diectly without the visualizer? Or maybe a PERL script within the Visualizer can do the job? Could anyone provide me a samle PERL scriprt to submit Conformers jobs? Thanks
I would like to use default parameters except:
Search method : Boltzmann jump
Adjust torsion angle window : True
Number of conformers : 1000