Hi all,
I am refining a peptide but XPLOR is outputting a structure with what appears to be randomized stereochemistry. Is there a way to get XPLOR to stick to the stereochemistry specified by the input molecule? Run directory is attached. Best regards, Doug _________________________________________________________________ Dr. Douglas R. Houston Senior Lecturer in Computational Biochemistry Institute of Quantitative Biology, Biochemistry and Biotechnology Room 3.23, Michael Swann Building King's Buildings University of Edinburgh Edinburgh, EH9 3JR, UK Tel. 0131 650 7358 -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://dcb.cit.nih.gov/pipermail/xplor-nih/attachments/20170123/e90c407e/attachment-0001.html> -------------- next part -------------- A non-text attachment was scrubbed... Name: attempt6.zip Type: application/x-zip-compressed Size: 310122 bytes Desc: attempt6.zip URL: <http://dcb.cit.nih.gov/pipermail/xplor-nih/attachments/20170123/e90c407e/attachment-0001.bin> -------------- next part -------------- An embedded and charset-unspecified text was scrubbed... Name: not available URL: <http://dcb.cit.nih.gov/pipermail/xplor-nih/attachments/20170123/e90c407e/attachment-0001.ksh>
