SimTK: OEAntechamber assign and generate AMBER atom types and structural parameters: Project Home

OEAntechamber assign and generate AMBER atom types and structural parameters

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1) Provide tools to generate AMBER force field parameters for novel organic molecules
2) Provide a software platform for force field research

License: oeante version 0.1

These programs analyze chemical structure and assign force field parameters suitable for the AMBER molecular mechanics/dynamics programs. OpenEye toolkits provide the cheminformatics infrastructure. These programs are intended to be replacements for the programs antechamber and parmchk distributed as part of AmberTools.

SimTK is maintained through Grant R01GM124443 01A1 from the National Institutes of Health (NIH). It was initially developed as part of the Simbios project funded by the NIH as part of the NIH Roadmap for Medical Research, Grant U54 GM072970.

Version 4.2.2. Website design by Viewfarm. Icons created by SimTK team using art by GraphBerry from www.flaticon.com under a CC BY 3.0 license. Forked from FusionForge 6.0.5.

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