Feature Requests item #3547506, was opened at 2012-07-22 21:37
Message generated for change (Tracker Item Submitted) made by tmgriffiths
You can respond by visiting: 
https://sourceforge.net/tracker/?func=detail&atid=835080&aid=3547506&group_id=165310

Please note that this message will contain a full copy of the comment thread,
including the initial issue submission, for this request,
not just the latest update.
Category: Commands / Extensions
Group: None
Status: Open
Resolution: None
Priority: 5
Private: No
Submitted By: Thomas Griffiths (tmgriffiths)
Assigned to: Nobody/Anonymous (nobody)
Summary: Custom PDB fields

Initial Comment:
It would be really nice to be able to modify the ResID, SegID, Chain Number, 
Atom Name, etc when you save in PDB format. Mainly for creating ligands for 
further computational studies; docking, MD, and so on.

It could be done with a preview style window. With drop down menus to select 
the segment or residue number you want to rename (in an adjacent text field or 
something). There could also be a list of chains and segments that could be 
dragged to reorder; for example ABC-->BAC.

----------------------------------------------------------------------

You can respond by visiting: 
https://sourceforge.net/tracker/?func=detail&atid=835080&aid=3547506&group_id=165310

------------------------------------------------------------------------------
Live Security Virtual Conference
Exclusive live event will cover all the ways today's security and 
threat landscape has changed and how IT managers can respond. Discussions 
will include endpoint security, mobile security and the latest in malware 
threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/
_______________________________________________
Avogadro-devel mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/avogadro-devel

Reply via email to