> page. However, I aways get the error message "Initial conformer does
> not pass filter! Initial conformer count: 0". I used methotrexate, as
I've found a few cases like this and am working on a fix. The biggest problem
is making sure there isn't an infinite loop.
If you are willing to send me
Hi OB folks,
I am still having some problems with the GA algorithm for conformer
generation. My purpose is to generate a set of conformers 'on-the-fly'
on a C++ program for binding energy evaluation.
So, I opened the mol2 file, minimized it with steepest descent and
used OBConformerSearch as desc
