Re: [PyMOL] Support for gromacs trajectories and cube files

[DeLano S. <de...@de...>]

Hi Martin,

> ...got the svn code compiled with -D VMD...

Great!=20

> CmdLoad: "/home/martin/workspace/testdata/ProtOut.pdb" loaded=20
> as "ProtOut".
> PyMOL>load /home/martin/workspace/testdata/topol.tpr
> CmdLoad: "/home/martin/workspace/testdata/topol.tpr" loaded=20
> as "topol.tpr".
> PyMOL>load /home/martin/workspace/testdata/ProteinTraj.xtc

Skip the tpr -- PYMOL can't read that at all. Try

load ProtOut.pdb, your-object-name
load ProteinTraj.xtc, your-object-name

where your-object-name is the same object.

Cheers,

DeLano Scientific LLC
Email Support Services=20

> -----Original Message-----
> From: pym...@li...=20
> [mailto:pym...@li...] On Behalf=20
> Of Martin H=F6fling
> Sent: Friday, October 27, 2006 2:20 PM
> To: pym...@li...
> Subject: Re: [PyMOL] Support for gromacs trajectories and cube files
>=20
> ...got the svn code compiled with -D VMD...
> If i load a PDB, then load a topology and then try to load a=20
> trajectory via "load" loading the trajectory fails,=20
> complaining like this:
>=20
> CmdLoad: "/home/martin/workspace/testdata/ProtOut.pdb" loaded=20
> as "ProtOut".
> PyMOL>load /home/martin/workspace/testdata/topol.tpr
> CmdLoad: "/home/martin/workspace/testdata/topol.tpr" loaded=20
> as "topol.tpr".
> PyMOL>load /home/martin/workspace/testdata/ProteinTraj.xtc
>=20
> Best wishes,
> 	Martin
> --
> Meinungsfreiheit hei=DFt nicht, dass ich mir jeden Schei=DF anh=F6ren =
muss.
> (Tobias Erle in bln.misc)
>=20
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