On Mon, 18 Jul 2005, Sebastien Moretti wrote:
Hello,
Is there a way to get one file with pymol commands (pml script) and with the
structure (PDB file) ?
I can get this with Rasmol and the ras script file.
Can I get the same kind of file with PyMOL ?
You can use the read_pdbstr command, like so:
delete all
cmd.read_pdbstr("""HETATM 1985 O00 MOH 132 18.797 6.477 -12.112 0.00
0.00 O\
HETATM 1988 H03 MOH 132 18.437 7.229 -11.665 0.00 0.00 H\
HETATM 1989 C04 MOH 132 17.737 5.662 -12.563 0.00 0.00 C\
HETATM 1990 H05 MOH 132 18.129 4.785 -13.080 0.00 0.00 H\
HETATM 1991 H06 MOH 132 17.096 6.211 -13.253 0.00 0.00 H\
HETATM 1992 H07 MOH 132 17.130 5.322 -11.722 0.00 0.00
H""","mymolecule")
show sticks
...
don't forget the trailing backslashes.
There's another example here: http://chips.csb.ki.se/pymol/msg02104.html
if you're curious.
-michael
--
www.umich.edu/~mlerner | _ |Michael Lerner
This isn't a democracy;| ASCII ribbon campaign ( ) | Michigan
it's a cheer-ocracy. | - against HTML email X | Biophysics
-Torrence, Bring It On| / \ | mler...@umich
Thanks
--
Sébastien Moretti
http://www.igs.cnrs-mrs.fr/
CNRS - IGS
31 chemin Joseph Aiguier
13402 Marseille cedex
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