UCSF Chimera has an extension to submit AutoDock calculations to OPAL web services (and locally). However, sometimes the input file is not correctly built and it results in an error that the user must resolve manually. Then, the GUI has to be configured all over again. This simple GUI allows to submit the files directly, without more configuration that the .conf file already carries.
-
Notifications
You must be signed in to change notification settings - Fork 0
Easily relaunch failed AutoDock Vina OPAL jobs from UCSF Chimera
insilichem/tangram_vinarelaunch
Folders and files
Name | Name | Last commit message | Last commit date | |
---|---|---|---|---|
Repository files navigation
About
Easily relaunch failed AutoDock Vina OPAL jobs from UCSF Chimera
Topics
Resources
Stars
Watchers
Forks
Packages 0
No packages published