1. "cystine" (2 cys residues that are disulfide bonded) appears to be undefined as a selection term. This may be an oversight since it was defined in Chime. Currently I can select cystine this way:
select cys.sg and connected(cys.sg) select within(group, selected) define ~cystine selected but I think this is a bit tricky -- it would be more convenient if "select cystine" worked, and simpler for novices. Then non-disulfide bonded cys residues can be selected as select cys and not ~cystine 2. What is the easiest way to select all interchain (or intrachain) cystines? The simplest way I can think of is to loop through all chains (preferable) or polymers using e.g. for chain A select cys:a.sg and connected(cys:a.sg) This selects all intrachain cystines in chain A. But I don't know how to set up a "for" loop that loops through each named chain. Can someone tell me how? Or suggest an easier method? Thanks, -Eric ------------------------------------------------------------------------------ Download Intel® Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, and fine-tune applications for parallel performance. See why Intel Parallel Studio got high marks during beta. http://p.sf.net/sfu/intel-sw-dev _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
