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
This script aims at reading a given PDB file and generation dihedral angles from it.
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Sep 27, 2017 - Python
collection of miscellaneous command line bioinformatic scripts written in julia for speed
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May 30, 2022 - Julia
A bunch of Rust snippet to play with data in PDB (https://www.rcsb.org/).
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Mar 20, 2024 - Rust
Script to Automate removal of HETATOMS
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Nov 22, 2020 - Python
Search for new PDB structures corresponding to a search term and deposited after a certain date.
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Aug 2, 2017 - Python
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++
python script to calculate the distance between two given amino acids in structural space
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Mar 4, 2022 - Python
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