Index

A

atoms properties

B

bonds properties

D

Desmond

E

environment variable PATH, [1] PYTHONPATH, [1], [2], [3], [4], [5], [6] SCHRODINGER SCHRODINGER_PYTHONPATH, [1] SCHRODINGER_SCRIPTS, [1], [2]

G

Glide

I

installing modules

interactive prompt IO

J

Jaguar

jobdj

M

MacroModel Maestro callbacks commands project table, [1] running scripts script installation workspace, [1]

minimization modules accessing your own installing

P

PATH, [1] project table Maestro, [1]

PYTHONPATH, [1], [2], [3], [4], [5], [6]

S

SCHRODINGER SCHRODINGER_PYTHONPATH, [1] SCHRODINGER_SCRIPTS, [1], [2] structure adjustment creation i/o measurement minimization properties substructure searching

superimposition

T

Trajectory

V

virtualenv

W

workspace Maestro

workspace, Maestro