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ACPYPE - AnteChamber PYthon Parser interfacE
BACKGROUND: ACPYPE (or AnteChamber PYthon Parser interfacE) is a wrapper script around the ANTECHAMBER software that simplifies the generation of small molecule topologies and parameters for a variety of molecular dynamics programmes like GROMACS, CHARMM and CNS. It is written in the Python programm...
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| Hauptverfasser: | , |
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| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
BioMed Central
2012
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3461484/ https://ncbi.nlm.nih.gov/pubmed/22824207 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1756-0500-5-367 |
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