MacroModel specifications


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


Add your version


  • person_outline QikProp Team <>

Additional information

A registration is needed to access to tool. Tuto:

MacroModel citation

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 […]

MacroModel reviews

star_border star_border star_border star_border star_border
star star star star star

Be the first to review MacroModel