Re: [PyMOL] Updating modifications

[Warren D. <wa...@de...>]

Sébastien,

 

You are correct that PyMOL cannot properly handle structures which do not have unique names within a given residue.    The "rename" command will make sure all atoms are unique identified:

 

rename selection

 

For example:

 

fragment arg, myobj

 

alter myobj,name=''

 

rename myobj

 

Cheers,

Warren

 

 

________________________________

From: Sébastien Conilleau [mailto:sco...@ch...] 
Sent: Tuesday, January 06, 2009 5:00 AM
To: pym...@li...
Subject: [PyMOL] Updating modifications

 

Hi,

I try to write a script able to reorient a protein and to save (in a pdb format) the reoriented structure.

I have a problem during the saving phase of my script.

When I use the update function some atoms are not tacken into account. Typically, if several atoms have the same name (for example HB of a sidechain) only the first one is updated. This leads to a final wrote structure with a series of atoms badly positionned.

Do you have any idea to solve this problem ?

Thank you for your help

S. Conilleau