Structural bioinformatics research group at National Centre for Biomolecular Research

ChargeFW2

The core part of Atomic Charge Calculator II.

AtomicChargeCalculator2

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

AlphaCharges

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

FFFold

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

FragmentSelector

The goal of FragmentSelector is selecting a fragment from a protein.

ppropt

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

propagace-bioinformatika

Návrhy propagačních materiálů bioinformatiky

RBP-Tar

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

channelsdb

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

golem

GOLEM: distribution of Gene regulatOry eLEMents within the plant promoters

cablam_data

Contour data for CaBLAM validation in cctbx and MolProbity

channelsdb-backend-old

channelsdb-frontend

channelsdb-results

ConfAnalyser

diplomka-jo-db-integration

geostd

gesamt_distance

mics-proteins

protein-similarity-parent-project

ProteinSearch

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

rama_z_data

Rotamer data from rlabduke for use in SQC

reference_data

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

rings-conformation-validation

rotarama_data

Contour data for Ramachandran and rotamer validation in cctbx and MolProbity

sqc

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

sqclib

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

VMFSMetricSpace

Metric space impl that stores data in the file system

VMGenericTools

VMMetricSpaceTechniquesImpl

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