Thanks, Eric. On Sun, Aug 9, 2015 at 12:00 PM, Eric Martz <ema...@microbio.umass.edu> wrote:
> Documentation for {*}.identify says: > > for a PDB/mmCIF file, same as [%[group]]%r:%[chain] %%%[altloc]/%[model] > #%[atomno]. > > 1. %r is hard to find. I suggest adding to the description for resno: > > See also %r (near the bottom of this table). > > good idea. I have also found a name for that: *seqcode*. But that is not in 14.2 yet. > 2. %atomName is missing from the above description. Also there is no space > before altloc. I think the description should be: > > for a PDB/mmCIF file, same as > [%[group]]%r:%[chain]*.%[atomName]*%%%[altloc]/%[model] > #%[atomno]. > > I've modified that text extensively. Take a look. for a PDB/mmCIF file, a label such as *[ILE]7^1:A.CD1%A/3 #47*, which includes the group ([ILE]), residue number with optional insertion code (7^1), chain (:A), atom name (CD1), alternate location if present (%A), PDB model number (/3, for NMR models when one file is loaded; /file.model such as /2.3 if more than one file is loaded), and atom number (#47). For non-PDB data, the information is shorter -- for example, *H15/2.1 #6*, indicating atom name (H15), full file.model number (/2.1), and atom number (#6). If only a single model is loaded, %[identify] does not include the model number. Bob
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