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Showing 4 open source projects for "molecule"

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1

MzDOCK - Multiple Ligand Docking Tool

MzDOCK is A Virtual Screening Tool For Drug Discovery Research

...Link: https://onlinelibrary.wiley.com/doi/abs/10.1002/jcc.27390 - Developed with Synchronized functioning of Python and Batch scripts -Integerated With Pymol-open-source for visualizing interaction (PSE file) generated from MzDOCK - Integrated with Molecule Drawing Tool - JSME Editor - If you are facing any issues or for queries . Contact us - kabeermuzammil614@gmail.com MzDOCK Development - Available on WindowsOS and Linux ubuntu 22.04 and more

6 Reviews

Downloads: 63 This Week

Last Update: 2026-05-27
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2

Molecular Dynamics Studio

Molecular Dynamics Cell Construction

...NanoEngineer-1 is a molecular CAD software written by Nanorex and provides the user an easy way to create molecules, while the software modifications allow the user to type atoms using multiple force fields. PACKMOL can generate a random collection of molecules using the molecule templates from NanoEngineer-1 thus providing the initial MD cell. Modifications to PACKMOL allow the atom type data to be passed through to the MSI2LMP software. MSI2LMP creates a LAMMPS input file based on class I or class II force fields. MSI2LMP was modified to use numerically coded force field data generated by NanoEngineer-1. ...

1 Review

Downloads: 31 This Week

Last Update: 2019-09-17
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3

Command line tool to edit xyz files

It is a commandline tool to manipulate .xyz molecule files.

Downloads: 0 This Week

Last Update: 2014-03-29
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4

A Molecule Cascade Simulator

NanoComp is a simulator of molecule cascades, intended to help design and check logic circuits using this technology.

Downloads: 0 This Week

Last Update: 2013-03-08
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