Dear coot users, I am wondering if there are any suggestions on how to speed up the usage of coot. Specifically the interactivity drops with the size of the molecule being edited. Not neccesarily for the local refinement itself but for refinement setup and accepting of changes. In my lab we routinely work with large (MDa) complexes with multiple (50-150) chains. With these chains open as individual objects editing is fast and efficient and overall we think that the user experience is very pleasant. However when working on merged models, for example after a refinement step in PHENIX, the time to set up the constraints for local refinement and for accepting those changes increase significantly. As an example, working on a 24000 aas complex, accepting a local refinement will take up to 15-20s mostly independent on if backups are enabled or not. I can split the chains and then remerge them to decrease the time, however, since many edits require inter-chain restraints this rapidly becomes inconvenient. Apart from turning off backups and removing hydrogens are there any further recommendations? Specifically for speeding up setting up restraints and especially accepting refinement?
Currently I am working on a DELL XPS15 laptop (i9-9980, GTX1650, SSD NVME) running coot 0.9.1-pre via CCP-EM 1.4.1-144-g842729a Best, Victor ######################################################################## To unsubscribe from the COOT list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=COOT&A=1 This message was issued to members of www.jiscmail.ac.uk/COOT, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
