PrimaryDock will no longer eat up gigs of virtual memory and slow the computer to a screeching halt during soft docking.
Added a splash screen, increased the progress bar, and changed the elapsed time to be expressed in minutes and seconds.
All ORs and TAARs now have active-state models, and OR2M3's TMR5 has been adjusted to fit its agonist. The fivewinder.pepd script can be run with a factor of -11 to adjust the other OR2M/T/V receptors.
The OR2M3 test is not reliable so it has been turned off. Have to find a better algorithm to dock this ligand. Should have been done in whichever branch introduced the 2M3 test. It is out of scope for this PR.
PrimaryDock will no longer eat up gigs of virtual memory and slow the computer to a screeching halt during soft docking.
Added a splash screen, increased the progress bar, and changed the elapsed time to be expressed in minutes and seconds.
All ORs and TAARs now have active-state models, and OR2M3's TMR5 has been adjusted to fit its agonist. The fivewinder.pepd script can be run with a factor of -11 to adjust the other OR2M/T/V receptors.
The OR2M3 test is not reliable so it has been turned off. Have to find a better algorithm to dock this ligand. Should have been done in whichever branch introduced the 2M3 test. It is out of scope for this PR.
All other tests are passing.