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.
insilichem / tangram_vinarelaunch Goto Github PK
View Code? Open in Web Editor NEWEasily relaunch failed AutoDock Vina OPAL jobs from UCSF Chimera
Home Page: http://tangram-suite.readthedocs.io/en/latest/tangram_revina.html