Hello list,
what's the mechanism for submitting feature requests or bug reports? To this
list?
nick
--
Download Intel#174; Parallel Studio Eval
Try the new software tools for yourself. Speed compiling, find bugs
Nick,
Please email bug reports and feature suggestions to
h...@schrodinger.com. CC the list if you like.
Cheers,
-- Jason
On Fri, Mar 12, 2010 at 11:17 AM, Nicolas Bock nicolasb...@gmail.com wrote:
Hello list,
what's the mechanism for submitting feature requests or bug reports? To this
When I load an xyz file with several frames (for example the result of an MD
simulation) I find that pymol calculates and sets the bonds only using the
initial frame. For frames 1 the bonds are not recalculated. The only work
around I found is to load(..., multiplex=1) which loads the frames into
After editing a molecule it can happen that the bonds that used to be there
don't all make sense anymore, for example, because I moved an atom pretty
far away from its original place. It would be nice if one could call a
function to force pymol at some point to recalculate the bonds in the
Please find attached an example xyz file.
nick
On Fri, Mar 12, 2010 at 11:20, Nicolas Bock nicolasb...@gmail.com wrote:
When I load an xyz file with several frames (for example the result of an
MD simulation) I find that pymol calculates and sets the bonds only using
the initial frame. For
I should mention that the first 3 columns are the cartesian coordinates in
Angstroms, and the last 3 columes the forces in eV/A.
On Fri, Mar 12, 2010 at 11:50, Nicolas Bock nicolasb...@gmail.com wrote:
Please find attached an example xyz file.
nick
On Fri, Mar 12, 2010 at 11:20, Nicolas
Nicolas,
Try:
set connect_mode, 2
load yourXYZ.xyz, discrete=1
-- Jason
On Fri, Mar 12, 2010 at 1:50 PM, Nicolas Bock nicolasb...@gmail.com wrote:
Please find attached an example xyz file.
nick
On Fri, Mar 12, 2010 at 11:20, Nicolas Bock nicolasb...@gmail.com wrote:
When I load an xyz
Great, that works!
On Fri, Mar 12, 2010 at 12:08, Jason Vertrees
jason.vertr...@schrodinger.com wrote:
Nicolas,
Try:
set connect_mode, 2
load yourXYZ.xyz, discrete=1
-- Jason
On Fri, Mar 12, 2010 at 1:50 PM, Nicolas Bock nicolasb...@gmail.com
wrote:
Please find attached an example
Could the connect_mode setting be better documented? The current
documentation doesn't say much about what that setting does.
nick
On Fri, Mar 12, 2010 at 12:08, Jason Vertrees
jason.vertr...@schrodinger.com wrote:
Nicolas,
Try:
set connect_mode, 2
load yourXYZ.xyz, discrete=1
--
We are attempting to use a set of external input devices (wiimotes) to
allow interaction with pymol and are achieving this by having a
seperate thread running that talk to the wiimote over bluetooth and
sends commands to pymol when appropriate. Commands such as rotate or
move the view go through
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