Hi Pawel, The 4 character limit is currently a hard limit. As a workaround I suggest you reformat your file into PDB format and split the atom name into the name and segi columns for example. Your selection expression will become:
For H1: name H1 and segi "" For H1000: name H100 and segi "0" To properly handle atom names with more than 4 characters we would have to refactor the internal data representation, just like we did for multi-letter chain identifiers in PyMOL 1.7.4. Cheers, Thomas On 02 Sep 2015, at 20:03, Pawe? Gniewek <gniewko.pa...@gmail.com> wrote: > Hi, > > I'm trying to read a large file in XYZ format. > > By default the first line is the number of atoms in the file. > The other lines are giving the name and the coordinates for each atom: > <NAME> <X> <Y> <Z> > > I've noticed that when the name of the atom is longer than 4 characters, I > cannot select that atom - or it's not even read. For example I have a file > like that: > 1000 > H1 0.0 0.0 0.0 > ... > H1000 1000.0 1000.0 1000.0 > > then the command: > select H_1000, name H1000 > gives me: > selection "H1000" defined with 0 atoms > > However, at the same time if I do: > select H_100, name H100 > I get: > selection "H100" defined with 2 atoms > what means that the last character has been omitted. > > Of course I can work it out by naming atoms like: HH01 instead of H1000, but > I wonder if there is more elegant way of doing it. Any tricks off top of your > heads ? > > Thanks. > Pawel -- Thomas Holder PyMOL Principal Developer Schrödinger, Inc. ------------------------------------------------------------------------------ Monitor Your Dynamic Infrastructure at Any Scale With Datadog! Get real-time metrics from all of your servers, apps and tools in one place. SourceForge users - Click here to start your Free Trial of Datadog now! http://pubads.g.doubleclick.net/gampad/clk?id=241902991&iu=/4140 _______________________________________________ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
