schrodinger.analysis.enrichment: A module for calculating Enrichment Factors and reporting on the
effectiveness of a ligand database screen seeded with known
actives.
schrodinger.antibody_db_manage_gui: Script used to create and add structures to an antibody database,
remove structures and edit properties.
schrodinger.application.desmond.cmj: This module provides fundamental facilities for writing a multisim
driver script, for writing multisim concrete stage classes, and for
dealing with protocol files.
schrodinger.application.desmond.system_builder_util: The script truncates protein beyond truncate_distance from ligand
atoms, restrain remaining protein heavy atoms beyond
restrain_distance from ligand atoms, and solvate it by
solvent_buffer distance.
schrodinger.application.glide.xp6classes: Classes (and top-level logging function) to generate and store data
for the Glide "New XP" protocol, for a single
protein-ligand complex.
schrodinger.project: A module for accessing and modifying a Maestro Project.
schrodinger.protein: Protein related modules, including functionality for analysis and
manipulation.
schrodinger.protein.analysis: A class for diagnosing and reporting common structural problems of
protein complexes.
schrodinger.protein.assignment: Module for optimizing hydroxyl, thiol and water orientiations,
Chi-flips of asparagine, glutamine and histidine, and protonation
states of aspartic acid, glutamic acid, and histidine.
schrodinger.protein.captermini: Module for capping uncapped terminal residues in a protein
structure by adding NME or ACE caps as appropriate.
schrodinger.protein.sequence: This module allows to iterate over all sequences in a given protein
CT, and to iterate over residues of each (in sequence order).
schrodinger.structure: A module containing the central interface for reading and editing
chemical structures.
schrodinger.ui.macromodel: MacroModel GUI components with Maestro look and feel that are designed to
plug and play with the schrodinger.ui.appframework.AppFramework class.
schrodinger.utils.ligfilter: Support module for Ligfilter applications, including parsing
functions, filtering criteria, constants, and setting up of the
default composite SMARTS patterns.