ACPYPE - AnteChamber PYthon Parser interfacE

20123,023 citationsJournal Articlegold Open Access

Authors

Alan Sousa da Silva · European Bioinformatics Institute

Abstract

ACPYPE is a tool that simplifies the automatic generation of topology and parameters in different formats for different molecular mechanics programmes, including calculation of partial charges, while being object oriented for integration with other applications.

Topics & Keywords

Protein Structure and Dynamics Computational Drug Discovery Methods Enzyme Structure and Function

Publication Details

Published in: BMC Research Notes

Volume 5, Issue 1, pp. 367-367

DOI: 10.1186/1756-0500-5-367

Field-Weighted Citation Impact: 22.19

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ACPYPE - AnteChamber PYthon Parser interfacE

Authors

Abstract

Topics & Keywords

Publication Details