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uibcdf / MolSysMT

Open source library to work with molecular systems
https://www.uibcdf.org/MolSysMT/
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Error viewing system 1TCD #31

Closed dprada closed 1 year ago

dprada commented 3 years ago

The following sequence of commands throws an error:

import molsysmt as msm
mol_system_2 = msm.convert("1TCD", "molsysmt.MolSys")
mol_system_2 = msm.remove_solvent(mol_system_2, water=True, ions=True)
mol_system_2 = msm.add_missing_hydrogens(mol_system_2, pH=7.4)
msm.view(mol_system_2)
dprada commented 3 years ago

@Daniel-Ibarrola, The problem is not reproducible. 😲 Works the code mentioned above works without error in my machine.

dprada commented 1 year ago

Right 😄 There's no longer a bug with this... 👍🏻