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
------------------------------------------------------------------------------
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
