Hi Yong,
Maybe you tried this already, but you might try reducing the use of RAM by
superposing all 500 structures represented as CA traces
('ribbons' in PyMOL) or even show the CA atoms as lines (show lines, name ca
and i. *) and then switch representation after alignment.
Best regards,
Blaine
Blaine Mooers, Ph.D.
Associate Professor
University of Oklahoma Health Sciences Center
Oklahoma City, OK 73104-5419
________________________________________
From: Yong Tang [liutan...@gmail.com]
Sent: Wednesday, June 03, 2020 3:55 PM
To: pymol-users@lists.sourceforge.net
Subject: [EXTERNAL] [PyMOL] protecting a group during subsequent aligment
Dear all, I have a task to overlay 500+ structures onto a reference structure
"ref", as the body of data is big, I decided to do them in chunks, 100 at a
time (after crashing pymol on my Windows laptop for a few times attempting it).
This is the commend that I used for the first 100:
alignto ref, method=super.
This worked perfectly for most entries, but not for all, so I manually adjusted
some entries, and then grouped them into chunck1.
Now I'm ready to move on to the next chunk; I realized I wanted to protect the
processed entries from being moved/aligned again as the alignto doesn't allow
specification of the "mobile". I applied the /Actions/Movement/Protect on group
chunk1, but that didn't seem to prevent the entries in there to be
moved/aligned again.
Any clue how to fix my problem?
Many thanks, -yong
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