According to "Robert Hanson" <[email protected]>: > Jaime, this is fixed now in the sense that the OT1/OT2 oxygens are ignored > for hydrogen bond calculation purposes. I don't think that's a perfect > solution, but until we find out whether these are official RCSB > designations, I think we will leave it that way.
Dear Bob, Thanks for a prompt action and solution. Thanks also to Eran Hodis who suggested that, from the multiple commands we were sending to Jmol, the 'calculate hbonds' was the one firing the freezing. I think that only XPLOR uses the OT1 and OT2 nomenclature, so the immediate solution on my end will be to replace OT1,OT2 by O and OTX. There's an interesting reference table for atom naming systems at http://www.bmrb.wisc.edu/ref_info/atom_nom.tbl Best regards, Jaim -- Dr Jaime Prilusky | [email protected] Head Bioinformatics | R&D Bioinformatics and Data Management | Department of Biological Services | Weizmann Institute of Science | fax: 972-8-9344113 76100 Rehovot - Israel | tel: 972-8-9344959 OCA, http://oca.weizmann.ac.il (the protein structure/function database) Proteopedia, http://proteopedia.org (because life has more than 2D) ------------------------------------------------------------------------ ------------------------------------------------------------------------------ The NEW KODAK i700 Series Scanners deliver under ANY circumstances! Your production scanning environment may not be a perfect world - but thanks to Kodak, there's a perfect scanner to get the job done! With the NEW KODAK i700 Series Scanner you'll get full speed at 300 dpi even with all image processing features enabled. http://p.sf.net/sfu/kodak-com _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
