Hi Efrem,
your PDB file doesn't have any atomic identifiers, except the ID column. The
atom ID is not used to match atoms when loading multiple models, but
basically all other atomic identifiers are (segi, chain, resi, resn, name). So
if you assign for example a unique residue number (resi) to
That works! Thanks!
Efrem Braun
On Wed, Apr 8, 2015 at 1:49 PM, Thomas Holder thomas.hol...@schrodinger.com
wrote:
Hi Efrem,
your PDB file doesn't have any atomic identifiers, except the ID column.
The atom ID is not used to match atoms when loading multiple models, but
basically all
Hi Matt,
PyMOL session files are in general not forward compatible.
See for example:
https://sourceforge.net/p/pymol/mailman/message/31070268/
Cheers,
Thomas
On 08 Apr 2015, at 14:19, Matthew Baumgartner mp...@pitt.edu wrote:
Hi,
I'm running pymol 1.7.5.0 (r4114) from the SVN and I can't
Even for point updates? Even 1.7.4 can't read 1.7.5 files. If you are
planning on removing any level of forward compatibility to the point
where nothing loads, you should change your version number to 2.0 such
that there is a clear difference and I can inform my collaborators not
to update
Dear Pymol users!
For better visualization of the MMGBSA outputs from MD performed for 10 ligands
agains 1 receptor-target I wonder to map per-residue decomposition
data from each of the systems onto the receptor's 3D structure.
Eventually I'd like to produce 10 cartoon diagrams which would
Hi James,
I think what you want to do is to load your data to the b-factor column of
the pdb file and then ask PyMol to color the protein according to the
b-factor values. Try with this
http://www.pymolwiki.org/index.php/Color#B-Factors example from the PyMol
wiki and let us know if you find some
Hi,
I'm running pymol 1.7.5.0 (r4114) from the SVN and I can't load pse
files created in 1.7.5.0 in any older version of Pymol.
When I create a pymol session file where I fetch a PDB, show as
cartoons, and save the session (see
https://dl.dropboxusercontent.com/u/22529812/test.pse) and open
Hi Matt,
there might be room for improvement regarding our versioning scheme.
Nevertheless, in the last year, a point update with no changes in the session
file format would be an increment in the 4th position (x.x.x.y).
Also, 1.7.5 code so far only lives in the SVN repo, there is no 1.7.5
