pdb
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A script to obtain a difference distance matrix.
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Feb 17, 2022 - Python
The scope of this module is downloading or reading PDB-Files and subsequently parsing them
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Jan 27, 2022 - Python
Shell script to prepare protein PDBs for GROMACS molecular dynamics simulations, with SLURM script included to run md with hpc
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Apr 24, 2024 - Shell
3D Printer Compatible Molecular Surface Representation (Do not clone! Everything is in the release page!)
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Sep 30, 2022
Tiny Scala API to stream, parse, and cache atom coordinates from Protein Data Bank files
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Sep 10, 2016 - Scala
defines the interface region of a protein complex making possible to calculate the i_rmsd between native and predicted structures following the CAPRI criteria
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May 11, 2018 - C
Python program that can identify the residues interacting between chains of a complex protein.
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Dec 13, 2019 - Python
Struktura proteinov [UL FKKT]
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May 24, 2024 - TeX
Project in the Durrant Lab at UPitt that wanted to re-use code from a previous neural network ligand-protein interaction software to extract features for ML
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Mar 15, 2019 - Python
A command line measurement tool for molecule models.
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Jul 6, 2022 - C++
Protein folding with local propensity using GA
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May 25, 2017 - HTML
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