Re: [Jmol-users] Fragmentary residues

2015-08-24 Thread Angel Herráez
Thanks, Bob I will have to check those updated definitions against what is in the Wiki (quite old stuff), which I think was mostly correct, if not exhaustive. Eric is as usual chasing the limit cases! Great to sort this out. http://wiki.jmol.org/index.php/AtomSets > so true! Thanks, Eric. I

Re: [Jmol-users] Fragmentary residues

2015-08-23 Thread Robert Hanson
so true! Thanks, Eric. I see the documentation is wrong for "protein" and missing for "nucleic" and several other not-so-obvious definitions, such as dna, rna, purine, and pyrimidine. I have updated the documentation at http://chemapps.stolaf.edu/jmol/docs/?&fullmanual=1&ver=14.4#atomexpressions an

Re: [Jmol-users] Fragmentary residues

2015-08-22 Thread Eric Martz
This issue is a recent change. These fragmentary residues were properly categorized in Jmol 14.3.7_2014.09.20. On 8/22/15 3:11 PM, Eric Martz wrote: > In the PDB format, every atom should be a member of one of these 3 > categories: protein, nucleic, hetero. > > FirstGlance in Jmol has long highli

[Jmol-users] Fragmentary residues

2015-08-22 Thread Eric Martz
In the PDB format, every atom should be a member of one of these 3 categories: protein, nucleic, hetero. FirstGlance in Jmol has long highlighted any 'anomalous atoms' that do not belong to any of the above 3 categories. It appears to me that Jmol (for a long time, including the latest Aug 17