Repositories list

• AtomicChargeCalculator2

  Public
  Atomic Charge Calculator II (ACC II) is an application for fast calculation of partial atomic charges.

  web-serverpartial-atomic-charges

  TeX

  •

  MIT License

  •5•11•0•0•Updated Sep 26, 2024Sep 26, 2024

• metadata-extractors

  Public
  Metadata exctractors for various types of data

  metadata-extraction

  Python

  •0•0•0•0•Updated Jul 24, 2024Jul 24, 2024

• ceitec-schemas

  Public
  Metadata schemas for various life-science data sources

  metadataschema

  TypeScript

  •0•0•0•0•Updated Jul 24, 2024Jul 24, 2024

• channelsdb

  Public
  ChannelsDB 2 - a comprehensive and regularly updated resource of channels, pores and tunnels

  apiproteinschannels

  JavaScript

  •

  MIT License

  •2•0•0•0•Updated Jul 18, 2024Jul 18, 2024

• RBP-Tar

  Public
  RBP-Tar is a web server for the retrieval of experimentally derived binding sites for hundreds of RNA Binding Proteins on the human genome.

  rnabinding-sites

  HTML

  •

  MIT License

  •1•1•0•1•Updated Jul 10, 2024Jul 10, 2024

• rings-conformation-validation

  Public
  Python

  •

  MIT License

  •0•0•0•0•Updated Jul 3, 2024Jul 3, 2024

• FFFold

  Public
  FFFold: A tool for the quick optimisation of protein structures from AlphaFold DB

  protonationalphafold2gfn-ff+ 2force-field-optimisationprotein-structure-optimisation

  JavaScript

  •

  MIT License

  •1•4•0•0•Updated Jun 25, 2024Jun 25, 2024

• MOLE

  Public
  A universal toolkit for rapid location and characterization of channels and pores in biomacromolecules

  C#

  •

  MIT License

  •0•0•0•0•Updated Jun 8, 2024Jun 8, 2024

• webchemistry

  Public
  Webchemistry is a set of tools for analysis of 3D structural data from the Protein Data Bank implemented in C#.

  C#

  •

  MIT License

  •0•0•0•0•Updated Jun 8, 2024Jun 8, 2024

• pdb-data-cruncher

  Public
  PDB data cruncher collects data form PDB and transforms them for ValTrendsDB.

  Python

  •0•1•2•0•Updated Jun 4, 2024Jun 4, 2024

• sqc

  Public
  SQC (Structure Quality Check) is a reimplementation of the PDB validation server.

  Python

  •

  MIT License

  •0•0•0•0•Updated May 29, 2024May 29, 2024

• sqclib

  Public
  SQCLib is a python library for interacting with the Structure Quality Check server.

  Python

  •0•0•0•0•Updated May 23, 2024May 23, 2024

• ppropt

  Public
  PPROpt is a Python application for the fast protein structure optimization.

  Python

  •

  MIT License

  •1•1•0•0•Updated May 22, 2024May 22, 2024

• ChargeFW2

  Public
  The core part of Atomic Charge Calculator II.

  partial-atomic-charges

  C++

  •

  MIT License

  •11•24•4•2•Updated May 11, 2024May 11, 2024

• ConfAnalyser

  Public
  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •0•0•0•0•Updated Apr 29, 2024Apr 29, 2024

• rama_z_data

  Public
  Rotamer data from rlabduke for use in SQC

  0•0•0•0•Updated Mar 28, 2024Mar 28, 2024

• protein-similarity-parent-project

  Public
  Shell

  •0•0•0•0•Updated Mar 23, 2024Mar 23, 2024

• diplomka-jo-db-integration

  Public
  Java

  •0•0•0•0•Updated Mar 13, 2024Mar 13, 2024

• mics-proteins

  Public
  Java

  •0•0•0•1•Updated Mar 13, 2024Mar 13, 2024

• geostd

  Public
  Other

  •24•0•0•0•Updated Mar 12, 2024Mar 12, 2024

• AlphaCharges

  Public
  𝛂Charges: A tool for the quick calculation of partial atomic charges for protein structures from AlphaFoldDB

  protonationpartial-atomic-chargesalphafold2

  Python

  •

  MIT License

  •2•9•0•0•Updated Feb 14, 2024Feb 14, 2024

• ProteinSearch

  Public
  Fron tend for the application that searches structurally similar protein chains.

  Python

  •1•0•0•1•Updated Feb 4, 2024Feb 4, 2024

• rotarama_data

  Public
  Contour data for Ramachandran and rotamer validation in cctbx and MolProbity

  1•0•0•0•Updated Nov 30, 2023Nov 30, 2023

• golem

  Public
  GOLEM: distribution of Gene regulatOry eLEMents within the plant promoters

  Dart

  •

  MIT License

  •0•0•0•0•Updated Nov 30, 2023Nov 30, 2023

• cablam_data

  Public
  Contour data for CaBLAM validation in cctbx and MolProbity

  Creative Commons Attribution 4.0 International

  •1•0•0•0•Updated Nov 30, 2023Nov 30, 2023

• gesamt_distance

  Public
  C++

  •1•0•0•0•Updated Nov 23, 2023Nov 23, 2023

• VMMetricSpaceTechniquesImpl

  Public
  Implementation of techniques to work and process a similarity space, presumably metric space.

  Java

  •1•0•0•0•Updated Nov 4, 2023Nov 4, 2023

• VMFSMetricSpace

  Public
  Metric space impl that stores data in the file system

  Java

  •1•0•0•0•Updated Nov 4, 2023Nov 4, 2023

• VMGenericTools

  Public
  Java

  •1•0•0•0•Updated Oct 12, 2023Oct 12, 2023

• reference_data

  Public
  This repository contains reference data from the Richardson Lab at Duke.

  Makefile

  •

  Creative Commons Attribution 4.0 International

  •5•0•0•0•Updated Jul 26, 2023Jul 26, 2023