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mBuild: A hierarchical, component based molecule builder

Project Description

mBuild: A hierarchical, component based molecule builder

With just a few lines of mBuild code, you can assemble reusable components into complex molecular systems for molecular dynamics simulations. mBuild is designed to minimize or even eliminate the need to explicitly translate and orient components when building systems: you simply tell it to connect two pieces! mBuild also keeps track of the system’s topology so you don’t have to worry about manually defining bonds when constructing chemically bonded structures from smaller components.

Release History

Release History

This version
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0.7.2

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0.7.1

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0.7.0

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0.6.1

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0.6.0

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0.5.2

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0.5.1

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0.5.0

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0.4.3

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0.4.2

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0.4.1

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0.4.0

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File Name & Checksum SHA256 Checksum Help Version File Type Upload Date
mbuild-0.7.2.tar.gz (269.0 kB) Copy SHA256 Checksum SHA256 Source Jun 13, 2017

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