MacroModel specifications

Information


Unique identifier OMICS_18800
Name MacroModel
Software type Package/Module
Interface Command line interface
Restrictions to use None
Operating system Unix/Linux
Computer skills Advanced
Stability Stable
Maintained Yes

Versioning


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Maintainer


  • person_outline QikProp Team <>

Additional information


A registration is needed to access to tool. Tuto: https://www.schrodinger.com/training/macromodel-workshop-tutorial

MacroModel citation

2015
PMCID: 4466327

[…] when there are non-specified chiral centers in some drugs, a maximum of three enantiomers was generated. we performed monte carlo multiple minimum (mcmm) conformational analysis calculations using macromodel [24] to determine the most stable 3d molecular structure for each drug. we retained the structure with the minimum potential energy opls_2005 as a drug-template for the next shape […]

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