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A Mol*-powered interactive molecular systems viewer for structural analysis#

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Install it#

conda install -c uibcdf molsysviewer

Use it#

import molsysviewer as viewer

view = viewer.new_view('181L', selection='molecule_type not in ["water", "ion"]')
view.info(element='molecule')
index name type n atoms n groups n components chain index entity index entity name
0 T4 LYSOZYME protein 1289 162 1 0 0 T4 LYSOZYME
1 2-HYDROXYETHYL DISULFIDE small molecule 8 1 1 1 1 2-HYDROXYETHYL DISULFIDE
2 BENZENE small molecule 6 1 1 2 2 BENZENE 
region_1 = view.new_region('all within 9 angstroms of molecule_name=="BENZENE"', representation='sticks')
view.zoom('molecule_name=="BENZENE"')
view.show()

Citation#

Citing the Zenodo DOI of MolSysViewer in addition to the scientific paper is a way to ensure that others can reproduce your results, as they will know exactly which version of the software you used.


Coming soon…

BibTeX