Hello Allwin-- > I was looking for a way to incorporate floating chiralities using > a swap list and I wish to know how to incorporate it in xplor nih > 3.9 wherein I am employing xplor using python script.
This functionality is not yet included in the default Xplor-NIH builds, but would be straightforward to implement. Another possibility is to allow chirality to exchange in a smooth, continuous fashion. I would be happy to work with you to incorporate either/both of these solutions in a script. Please let me know if you are interested in pursuing this. best regards-- Charles ######################################################################## To unsubscribe from the XPLOR-NIH list, click the following link: http://list.nih.gov/cgi-bin/wa.exe?SUBED1=XPLOR-NIH&A=1
