The Molecular Graphics Laboratory Forum

AutoDock, AutoLigand, MGLTools, Vina, PyRx and more.
It is currently Thu May 24, 2018 1:45 pm

All times are UTC




Post new topic Reply to topic  [ 2 posts ] 
Author Message
PostPosted: Wed Jul 17, 2013 3:05 pm 
Offline
Millimolar User
Millimolar User
User avatar

Joined: Wed Jul 17, 2013 2:16 pm
Posts: 2
Hi i imported a pdb file of a molecule with double bonds but it ePMV doesn t seem to like more than one bond. I found a post in here where there was a similiar problem http://mgl.scripps.edu/forum/viewtopic.php?f=32&t=1731 but i also adjusted the fits value to 0.7 and use the newest ePMV with Cinema 4d 14 but this bug seems to be consistent.


Any help would be really appreciated ;)


Thank you in advance


Top
 Profile  
 
PostPosted: Thu Jul 18, 2013 9:15 pm 
Offline
Picomolar User
Picomolar User
User avatar

Joined: Wed Apr 22, 2009 2:08 am
Posts: 235
ePMV doesnt display double or triple bonds. Every bonds is display as one Cylinder instance
If you are dealing with small molecule it will be pretty easy to change the instance master of the bonds. Each bonds object instance is called T_....
replace the cylinder instance by two cylinder or three cylinder.

the value change is the cutoff used for considering two atoms bonds or not. Nothing related to double bonds.

Ludo


Top
 Profile  
 
Display posts from previous:  Sort by  
Post new topic Reply to topic  [ 2 posts ] 

All times are UTC


Who is online

Users browsing this forum: No registered users and 1 guest


You cannot post new topics in this forum
You cannot reply to topics in this forum
You cannot edit your posts in this forum
You cannot delete your posts in this forum
You cannot post attachments in this forum

Search for:
Jump to:  
POWERED_BY
Translated by MaĆ«l Soucaze © 2009 phpBB.fr