Ah sorry, I tried readding back the select_atoms() definition back again into the class. It wasn’t working with that function in the extended LoopModel class before probably because I had something else wrong.
Now with both functions it works and all other atoms remain in place.
Brian Wiley
Bioinformatics Scientist / Learner
Washington University in St. Louis
p. 480-370-4230
From:
Wiley, Brian via modeller_usage <modeller_usage@salilab.org>
Date: Sunday, February 12, 2023 at 11:49 PM
To: modeller_usage@salilab.org <modeller_usage@salilab.org>
Subject: [modeller_usage] Question on select_atoms vs. select_loop_atoms
|
modeller_usage@salilab.org appears similar to someone who previously sent you email, but may not be that person.
Learn why this could be a risk |
|
* External Email - Caution * |
Hi,
When I write a new class that extends either AutoModel or AllHModel and I define the select_atoms() function only the atoms in those residues are modeled and the rest remain at their start position. However
when extending LoopModel and write the same selection for select_loop_atoms(), all the atoms move. Is this intended by design?
Brian Wiley
Bioinformatics Scientist / Learner
Washington University in St. Louis
p. 480-370-4230
The materials in this message are private and may contain Protected Healthcare Information or other information of a sensitive nature. If you are not the intended recipient,
be advised that any unauthorized use, disclosure, copying or the taking of any action in reliance on the contents of this information is strictly prohibited. If you have received this email in error, please immediately notify the sender via telephone or return
mail.
The materials in this message are private and may contain Protected Healthcare Information or other information of a sensitive nature. If you are not the intended recipient, be advised that any unauthorized use, disclosure, copying or the taking of any action in reliance on the contents of this information is strictly prohibited. If you have received this email in error, please immediately notify the sender via telephone or return mail.