Hi, Thomas,
thanks for checking that and responding quickly. I also found out the
meaning of the option myself. At the moment, I write
some post-processing scripts to cope with that issue.
best,
Hongbo
On Tue, Aug 19, 2014 at 4:05 PM, Thomas Holder
thomas.hol...@schrodinger.com wrote:
Hi Hongbo,
you are right that the website and the implementation don't match, thanks
for pointing that out. This was a feature request from a paying PyMOL
sponsor, which often means that we put the feature only (or first) in
Incentive PyMOL. But thinking about it, this is a rather small change and
probably not worth to keep as a distinguishing feature. I'll port it to
open-source today.
To clarify the issue with duplicated connect record. This is an unofficial
PDB feature to store the bond order and is supported by several
applications that read PDB files, but may break PDB file loading in other
applications which don't support it. PyMOL always wrote duplicated connect
records and the new setting allows you to switch that off.
Cheers,
Thomas
On 18 Aug 2014, at 15:04, Hongbo Zhu 朱宏博 hongbo.zhu...@gmail.com wrote:
Hi,
I am using PyMOL 1.7 open source version in Ubuntu 14.04.
I wanted to try a new setting pdb_conect_nodup in pymol 1.7.
It is listed as new features available for both Open Source and
Incentive at:
http://pymol.org/features#v1.7
when I set it to on, I got:
Setting-Warning: not supported in open-source version of PyMOL
though the setting could be successfully set (get pdb_conect_nodup).
After saving a test PDB files, I still see duplicate CONECT lines in the
PDB file generated by PyMOL. So I guess the feature is indeed missing in
open source version.
Should the feature be made available to open source version users?
cheers,
Hongbo
--
Thomas Holder
PyMOL Developer
Schrödinger, Inc.
--
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