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20 Open 34 Closed
20 Open 34 Closed
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Issues list

Adding PyMOL support as viewer
#111 opened Nov 18, 2024 by dprada
basic.select method can be faster when element is diferent from 'atom' and syntax='MolSysMT' optimization About speeding up the library
#110 opened Apr 22, 2024 by dprada
We need OpenMM reporters with atom_indices as input argument. Sobre Interfaz Gráfica Graphics
#106 opened Oct 17, 2023 by dprada
Is there a way to add a color bar to an nglview.NGLWidget?
#95 opened Oct 21, 2022 by dprada
Adding functions to get and add missing bonds enhancement New feature or request
#74 opened Jun 30, 2022 by dprada 0.7.1
@dprada
1
Function to convert mmtf files to mdtraj needs to be reviewed. enhancement New feature or request question Further information is requested
#65 opened Jun 28, 2022 by dprada 0.7.1
@dprada
Extract mmtf_MMTFDecoder from a mmtf_MMTFDecoder
#48 opened Oct 26, 2021 by dprada
A tool to work with the whole PDB database enhancement New feature or request
#47 opened Jul 16, 2021 by dprada
There is a conflict to build the package for Linux 64 and Python 3.8 bug Something isn't working
#43 opened Jul 4, 2021 by dprada
Include rdkit molecular forms enhancement New feature or request
#36 opened Jun 29, 2021 by dprada
1 task
0.7.1
@dprada @Daniel-Ibarrola
Wrong topology in mdtraj.Topology from nv.datafiles.GRO bug Something isn't working
#30 opened May 21, 2021 by dprada
Including extended PDB and CCD ID codes enhancement New feature or request
#28 opened May 18, 2021 by dprada
An auxiliary library to cite everything that was used along a workflow has to be included enhancement New feature or request
#27 opened May 6, 2021 by dprada 0.7.1
@dprada @Daniel-Ibarrola
2
Proteins, small molecules and entities names bug Something isn't working
#25 opened May 6, 2021 by dprada 1.0.0
@dprada
2
Hbonds output formats enhancement New feature or request
#22 opened Apr 16, 2021 by dprada 0.7.1
@dprada
1
Other Python libraries to be checked
#12 opened Jan 13, 2021 by dprada
5
Pytraj objects, syntaxis and engines in MolSysMT
#9 opened Jun 25, 2020 by dprada
There are faster libraries to make queries in a DataFrame
#8 opened Jun 25, 2020 by dprada
2
Faster graph tools
#7 opened Jun 24, 2020 by dprada
Secondary structure prediction for sequence segments
#1 opened Feb 20, 2019 by dprada
1
ProTip! What’s not been updated in a month: updated:<2024-12-13.