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pdb-files

Here are 30 public repositories matching this topic...

biotite

biotite-dev / biotite

A comprehensive library for computational molecular biology

bioinformatics structural-biology computational-biology pdb-files sequence-analysis

Updated Mar 16, 2025
Python

BioPandas / biopandas

Working with molecular structures in pandas DataFrames

bioinformatics pdb molecular-structures pandas-dataframe protein-structure molecule computational-biology drug-discovery molecules mol2 pdb-files

Updated Aug 1, 2024
Python

mdtraj / mdtraj

An open library for the analysis of molecular dynamics trajectories

python pdb molecular-dynamics dihedral-angles mdtraj rmsd pdb-files molecular-dynamics-trajectories

Updated Mar 25, 2025
Python

jgreener64 / pdb-benchmarks

Benchmarking common tasks on proteins in various languages and packages

bioinformatics pdb comparison benchmarks mmcif structural-bioinformatics mmtf pdb-files

Updated Dec 27, 2020
Python

SeanCline / PythonSymbols

A WinDbg symbol server for all recent versions of CPython.

python pdb windbg pdb-files

Updated Feb 9, 2025
Python

johnnytam100 / pdb2uniprot

A Python script to map PDB ID + chain ID to UniProt ID.

bioinformatics mapping uniprot uniprot-ids bioinformatics-scripts uniprotkb pdb-files pdb-database bioinformatics-tool rcsb pdb-structure

Updated Mar 7, 2024
Python

lucagl / MOAD_ligandFinder

A script able to extract ligands from pdb structure(s) and remove them from the original structure. The ligands are identified according to the *valid* ligands found in the binding MOAD database. The ligand can be extracted as a pdb or as a xyz (coordinate) file. Other options such as converting the queried pdb to pqr are available .

pdb-files ligands pqr-files binding-moad extract-ligand remove-ligands

Updated Jul 13, 2022
Python

hocinebib / PisaPy

Python code to automatically interact with PDBePISA web server

csv interface xml protein-structure protein xml-parser pdb-files

Updated Jun 27, 2022
Python

jewettaij / dlpdb

collect statistics from the entire PDB library

structural-bioinformatics pdb-files

Updated Feb 18, 2022
Python

JMB-Scripts / CIF-to-PDB

Convert in batch CIF files to PDB

pdb cif mmcif pdb-files

Updated Oct 27, 2023
Python

continuous-symmetry-measure / pdb_prep

PDB file parser and prepare tools.

chemistry proteins python3 pdb-files rscb

Updated Feb 23, 2022
Python

fantin-mesny / amapec

Antimicrobial activity prediction for fungal effector candidates

machine-learning annotation proteins structures prediction fungi effector antimicrobial-peptides pdb-files antimicrobial

Updated Dec 19, 2024
Python

hkabbech / DSSP_implt

Programming project (Python) - Implementation of the DSSP method (Secondary Structure Assignment)

dssp python3-6 pdb-files

Updated Sep 20, 2018
Python

normcyr / new-pdb-inspector

Search for new PDB structures corresponding to a search term and deposited after a certain date.

biology pdb protein-structure biochemistry nmr-spectroscopy pdb-files xray-crystallography

Updated Aug 2, 2017
Python

bjaan / dll-exports-ordinal-name-ghidra-script

This Python script for Ghidra will export a table of function names and corresponding ordinals of a DLL, when other tools fail to do so

reverse-engineering exports size-coding dynamic-link-library pdb-files ghidra-scripts

Updated Jan 7, 2022
Python

ignatovmg / mol_grid

Small library for conversion of pdb files into numpy grids

grid pdb cnn pdb-files

Updated Oct 19, 2021
Python

QDcvd / Tripeptide-single-amino-acid-database-generator

A script to generate a tripeptide database. At present, the amino acids of tripeptides produced are not complete

python protein pymol pdb-files modeller pdb-database pdb-structure

Updated May 18, 2021
Python

QDcvd / DNA-Sequence-alignment

基于modeller官网脚本进行开发的序列比对脚本

protein-structure sequence-alignment pdb-files modeller pdb-database

Updated Jun 12, 2021
Python

JMB-Scripts / SAXS-EOM-FULL-ATOM

Convert EOM output to a full atom PDB files

pdb conversion saxs pdb-files eom

Updated Aug 30, 2023
Python

darwinsorchid / Frataxin-Structure-Analysis

[Python] Structural bioinformatics analysis of the human frataxin protein involved in Friedreich's Ataxia (FRDA).

protein-structure biopython pdb-files streamlit

Updated Oct 29, 2024
Python

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