On Mon, Mar 11, 2002 at 10:47:17AM -0800, DeLano, Warren wrote:
[..]
> # Python code for reading an SD file with
> # identifier as separate SD field 'MOLID'
[..]
Brilliant, now I only have to generate some environment around. Thanks!
Szilva
By default, PyMOL creates single bonds when joining fragments. To
change a bond valence, CTRL-right click on the bond to select it. You
should see a "ring" about the bond. Then press CTRL-W to cycle through
the possible bond valences: single, double, triple.
Note that it is essentially impossib
PLEASE WRITE BACK TO
rpal...@mac.com
Hi,
I was just wondering how to create a
double bond between two atoms (for
example between a carbon and an oxygen
or C=C).
Thankx
r1ck5p
--
___
Sign-up for your own FREE Personalized E-mail at Email.com
http:
ChemPy has a an SDF class for processing SD files. Here's an example of
using it to answer your question.
# Python code for reading an SDF file with
# identifier in first line of the MOL record
from pymol import cmd
from chempy.sdf import SDF
from string import join,strip
isdf = SDF("input.sdf"
Dear Pymol Users/Developers,
If I have an MDL (.sdf) file with multiple models, how can I ask pymol to
load them into separate models? As I checked pymol is reading sdf with
chempy's reader, so I could access the data field as well somehow.
Cheers:
Szilva
Hi List,
I'm trying to create a image of protein/subtrate + HOH. The
problem is the HOH made connections where isn't supposed to be! How can I
solve this?
Many thanks in advance,
---
Alan Wilter S. da Silva
---
Laboratório de Física Biológica
