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Open3DALIGN x64 2.28

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Open3DALIGN x64 is an open-source software aimed at unsupervised molecular alignment. Open3DALIGN is a command-line tool which is operated by means of a few commands which can be entered interactively from a command prompt, read from a batch script or piped through standard input. If PyMOL is installed on the system while Open3DALIGN is being operated interactively, the setup of alignments can be followed in real time on PyMOL's viewport. ...

Author Paolo Tosco
License Freeware
Price FREE
Released 2014-11-20
Downloads 352
Filesize 5.20 MB
Requirements
Installation Instal And Uninstall
Keywords x64 molecule
Users' rating
(4 rating)
Open3DALIGN x64CADWindows Vista x64, Windows 7 x64, Windows 8 x64
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... each compound of the dataset a quenched molecular dynamics (QMD) conformational search is carried out to find ... is accomplished running a number of short molecular dynamics runs (using the MMFF94 force-field) followed by minimization ...

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... each compound of the dataset a quenched molecular dynamics (QMD) conformational search is carried out to find ... is accomplished running a number of short molecular dynamics runs (using the MMFF94 force-field) followed by minimization ...