schrodinger.pipeline.stages.macromodel module
Docking to homology model. The Schrodinger suite of software6 from 2004 was used for structure preparation and docking. Input molecules were ...
KNIME User's Manual - ISP - YUMPU
Schrödinger software includes software and libraries provided by third parties. ... Navigate to and select the file $SCHRODINGER/macromodel- ...
schrodinger.pipeline.stage.Stage
Package schrodinger :: Package pipeline :: Module stage :: Class Stage ... macromodel.ConfSearchStage; , stages.macromodel.SampleRingsStage ...
Advances in GPCR Modeling Evaluated by the GPCR ... - Cell Press
the Prime module 3.0 of the Schrodinger suite4. The homology model of the SMO receptor was built using the. MOE program5. The models were constructed using ...
The Atom Selection dialog box opens. Page 44. Chapter 3: Energy Calculation and Minimization. Schrödinger Suite 2012 Update 2.
DRUG DESIGN - New Drug Approvals
Engine module of VLifeMDS containing basic molecular modeling ... The models are derived by ModPipe, an automated modeling pipeline relying on the ...
index modules | Schrödinger Python API 2024-2 documentation
Python Module Index. s. s. -, schrodinger · schrodinger.active_learning ... schrodinger.pipeline.stages.macromodel · schrodinger.pipeline.stages.phase.
schrodinger.application.vsw.stages package - Schrödinger
schrodinger.application.vsw.stages package¶. Pipeline stage modules used by VSW and QPLD. Copyright Schrodinger, LLC. All rights reserved. Submodules¶.
ska: Module for running SKA backend (protein structure alignment) vsw: A package containing the VSW modules and stages watermap: Module with WaterMap-related ...
schrodinger - ITS Documentation
To use Schrodinger on the cluster, you will need to load the appropriate module for the version you want to use. Schrodinger is a restricted license software, ...
Explore Schrodinger API ; Product Specific Modules. MacroModel and Prime packages help set up and run associated tasks. ; Jobcontrol. Information and instructions ...
schrodinger.pipeline.stage: Base classes for Pipeline stages. schrodinger.pipeline.stages: Pipeline stage modules used by VSW and QPLD.
MacroModel 10.5 - Reference Manual - Jant's web site
Schrödinger software includes software and libraries provided by third parties. ... Stage. Sharada Colony. Basaveshwaranagar. Bangalore 560079, India. SCHRÖDINGER ...
index modules | Schrödinger Python API 2023-1 documentation
Python Module Index. s. s. -, schrodinger · schrodinger.active_learning ... schrodinger.pipeline.stages.macromodel · schrodinger.pipeline.stages.phase.
schrodinger.pipeline.stages.phase module - Schrödinger
schrodinger.pipeline.stages.phase module¶. Stages for running Phase jobs. Copyright Schrodinger, LLC. All rights reserved. schrodinger.pipeline.stages.phase.
MacroModel Conformational Search - NodePit
The Macromodel conformational search node provides access to the conformational search methods Monte Carlo plus Minimization (MCMM), Low Mode Search (LMOD)
Index — Schrödinger Python API 2023-1 documentation
(schrodinger.pipeline.stages.macromodel.SampleRingsStage method) ... A2cell() (in module schrodinger.application.matsci.gsas.GSASIIlattice) · A2Gmat() (in ...
Schrödinger software provides several macrocycle design solutions including the ability to perform sampling using Prime, predict permeability, ...
Pipeline of Collaborative & Proprietary Drug Discovery Programs
Therapeutic Pipeline. For more than 30 years, we have invested in advancing the science underlying our computational platform. As our technology advanced, ...
Schrodinger molecular docking workflow on the Linux cluster ...
... module, such as "100:400" <100:400> -T Set a Job ... <10> -M The number of MACROMODEL subjobs. <10> -S ... Pipeline="RDL+HTVS_Normal+QIKPROP+R5R+ ...