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workshop
workshop PublicForked from shozebhaider/workshop
This provides an overview/landing page for a CCPBioSim workshop event. Feel free to update this as you run new events.
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martinize.py
martinize.py PublicForked from cgmartini/martinize.py
Create coarse grain Martini input files for Gromacs from (atomistic) pdb files.
Python
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enlighten2-pymol
enlighten2-pymol PublicForked from vanderkamp/enlighten2-pymol
PyMOL plugin for enlighten2
Python
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chemsh-wrapper4enlighten-plugin
chemsh-wrapper4enlighten-plugin PublicForked from CCPBioSim/chemsh-wrapper4enlighten-plugin
Python
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CodeEntropy
CodeEntropy PublicForked from DonaldChung-HK/CodeEntropy
CodeEntropy tool with POSEIDON code integrated to form a complete and generally applicable set of tools for computing entropy of macromolecular systems from the forces sampled in a MD simulation.
Python
27 contributions in the last year
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Contribution activity
April 2025
Opened 1 pull request in 1 repository
CCPBioSim/CodeEntropy
1
merged
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Resolve issue #80 fixing indexing issue for start parameter affecting timesteps
This contribution was made on Apr 7
Reviewed 1 pull request in 1 repository
CCPBioSim/CodeEntropy
1 pull request
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Ensure verbose flag in YAML sets logging to DEBUG mode correctly
This contribution was made on Apr 8
Created an issue in CCPBioSim/CodeEntropy that received 1 comment
Sanity checks for input parameters
Currently the code checks the type for inputs but not whether the values make sense. For example, there is a end parameter for selecting the last f…
Opened 1 other issue in 1 repository
CCPBioSim/CodeEntropy
1
closed
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Controlling trajectory size
This contribution was made on Apr 7