Re: [PyMOL] PDB changed CONNECT records

2007-09-06 Thread DeLano Scientific
Actually, upon closer look, the residue wasn't defined using the proscribed PDB alternate location identifiers, so in fact, PyMOL itself is unable to avoid misconnecting the atoms. Thus, you'll need to use "unbond" either way. _ From: pymol-users-boun...@lists.sourceforge.net [mailto:py

Re: [PyMOL] PDB changed CONNECT records

2007-09-06 Thread DeLano Scientific
Mark, set connect_mode = 0 is the default, and this uses both distance-based and explicit (CONECT-based) connectivity. set connect_mode = 1 uses only explicity connectivity we don't have a connect_mode = 2 yet (forcing use of distance-based connectivity only), so instead, you'll need to remo

Re: [PyMOL] PDB changed CONNECT records

2007-09-06 Thread Abhinav Verma
AFAIK setting connect_mode=1 strictly uses the CONECT records from pdb file to draw bonds. Cheers, Abhi. On 9/6/07, Mark A Saper wrote: > > This was previously discussed in an archived email but I can't find it > right now. Does the setting connect_mode=0 use the CONECT records in the > PDB f

[PyMOL] PDB changed CONNECT records

2007-09-06 Thread Mark A Saper
This was previously discussed in an archived email but I can't find it right now. Does the setting connect_mode=0 use the CONECT records in the PDB file or not? I think it does. Apparently in pdb code 1ABE, the CONECT records were changed in a 2005 revision. Two alternate sugar conformat