I am trying to calculate the SCD of lipids near an adsorbed peptide (5 angstrons, for example). However, due to the bilayer's dynamic, the lipids around the peptide change every time and I need to update the selection on each analyzed frame.
Is it possible to update the selection in SCD calculations with MEMBPLUGIN?
Regards.
Alexandre
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Dear Alexandre,
The current implementation of MEMBPLUGIN does not offer the option to update the atom selection on each frame for membrane SCD plugin. We will consider your new feature proposal of being able to enable and disable atomselection update in future releases.
Best regards,
Ismael Rodríguez Espigares.
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Hi all.
I am trying to calculate the SCD of lipids near an adsorbed peptide (5 angstrons, for example). However, due to the bilayer's dynamic, the lipids around the peptide change every time and I need to update the selection on each analyzed frame.
Is it possible to update the selection in SCD calculations with MEMBPLUGIN?
Regards.
Alexandre
Dear Alexandre,
The current implementation of MEMBPLUGIN does not offer the option to update the atom selection on each frame for membrane SCD plugin. We will consider your new feature proposal of being able to enable and disable atomselection update in future releases.
Best regards,
Ismael Rodríguez Espigares.
Dear Ismael.
Thank you for your prompt response and for considering my proposal for the future.
Some time ago I calculated SCD using a script I've found on the web and I will try to change it to perform in the way I need.
Regards.
Alexandre