schrodinger.application.desmond.mdpose.mdpose_glide module

class schrodinger.application.desmond.mdpose.mdpose_glide.MDPoseGlideJob(ligand_fname, receptor_fname)

Bases: schrodinger.job.queue.JobControlJob

calc_ligand_size(st)

getOutputStructure()

run()

writeInputFile()

schrodinger.application.desmond.mdpose.mdpose_glide.compare(lig1, rec1, lig2, rec2)