> There is a related (and for PE very serious for rare PDB files) bug in > Chime regarding alignment of group (residue) names. It would be best if > Jmol can handle residue names in any alignment of the three-character > field, e.g. A__, _A_, __A, PC_, _PC.
The current Jmol implementation would *not* handle this. However, I do not believe that it will be difficult to change, and I don't forsee any negative impact. Q: Is it the case that it needs to deal with unaligned group names within the same file? As in, three atoms in the same residue identified with three different column alignments ... A__, _A_, __A > The bug in Chime is that while it > can "select pc", it fails to report the selected group name with "show > residue". I don't understand what "show residue" is supposed to do. Please advise. > This causes PE to be unable to do cation-pi displays with e.g. > 2MCP as documented at > http://molvis.sdsc.edu/protexpl/cationpi.htm#t3 > (I seem to recall this may have to do with alignment, but I'm not sure > -- may be confusing this bug with another one.) I looked at this briefly, but wasn't able to understand it. Miguel ------------------------------------------------------- This SF.net email is sponsored by: Perforce Software. Perforce is the Fast Software Configuration Management System offering advanced branching capabilities and atomic changes on 50+ platforms. Free Eval! http://www.perforce.com/perforce/loadprog.html _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
