software
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software [2014/07/10 15:16] nuno |
software [2017/06/30 11:26] (current) nuno |
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| Chem-path-tracker is a VMD plug-in that allows the user to highlight and reveal potential chemical motifs requiring only a few selections. The analysis is based on atoms/residues pair distances applying a modified version of Dijkstra’s algorithm, and it makes possible to monitor the distances of a large pathway, even during a molecular dynamics simulation. | Chem-path-tracker is a VMD plug-in that allows the user to highlight and reveal potential chemical motifs requiring only a few selections. The analysis is based on atoms/residues pair distances applying a modified version of Dijkstra’s algorithm, and it makes possible to monitor the distances of a large pathway, even during a molecular dynamics simulation. | ||
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| + | <WRAP column 15%> | ||
| + | [[biopathfinder|{{:molup_00003.png?direct&200|}}]] | ||
| + | </WRAP> | ||
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| + | [[molUP|molUP]] | ||
| + | ### | ||
| + | molUP is a VMD extension that provides a simple manner for loading and saving Gaussian files, and analyze related results. molUP provides a graphical interface for VMD where the users can load and save chemical structures in the Gaussian file formats. | ||
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software.1405001808.txt.gz · Last modified: 2014/07/10 15:16 by nuno
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