On Wed, 21 Dec 2005, William Scott wrote:
Dear Michael:
Thanks.
It works great. Sorry that I stupidly didn't think to check it.
No problem. I'm glad it works. Almost everything should be the same.
APBS has a new required parameter, sdens (Vacc sphere density) that I've
added to the configuration pane. As far as I've heard, the default
setting of 10.0 should be fine for most uses.
If you permit me one whine, I still need to use pdb2pqr (new version of
that too) in order to do this with nucleic acids.
Allowing the plugin to use pdb2pqr is at the top of my PyMOL-related todo
list.
-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
On Tue, 20 Dec 2005, Michael George Lerner wrote:
There's a new version on my website
(http://www.umich.edu/~mlerner/PyMOL/). Please feel free to try it out
and let me know if it works. I've tested it on a few systems that I work
with, and it seems fine. One person has reported some difficulties, but
these may not be related to my plugin.
Thanks,
-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
On Tue, 20 Dec 2005, William Scott wrote:
I'm not getting very far...
parsePBE: Warning -- parsed deprecated "calcforce 0" statement.
parsePBE: Please use "calcforce no" instead.
PBEparm_check: SDENS not set!
NOsh: MG parameters not set correctly!
Error while parsing input file.
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