InsiliChem

Repositories

• ommprotocol

  A command line application to launch molecular dynamics simulations with OpenMM

  command-line molecular-dynamics openmm amber
  Python LGPL-3.0 6 20 5 (1 issue needs help) 0 Updated Jun 18, 2021

• gpathfinder

  Identification of ligand binding pathways by a multi-objective genetic algorithm
  Python Apache-2.0 0 3 1 0 Updated Jun 14, 2021

• insilichem_com

  InsiliChem website, powered by Hugo and Netlify
  HTML 0 0 1 1 Updated Jun 11, 2021

• biometall

  BioMetAll is a command line application to allow the identification of metal-binding sites in proteins from backbone preorganization.
  Python BSD-3-Clause 0 2 0 0 Updated Dec 20, 2020

• tangram_qmsetup

  QM and QM/MM calculations setup for UCSF Chimera

  graphical-interface quantum-chemistry ucsf-chimera
  Python 2 0 3 0 Updated Dec 3, 2020

• gaudi

  GaudiMM: A modular optimization platform for molecular design

  genetic-algorithm protein-ligand-docking computational-chemistry molecular-design
  Python 11 19 5 3 Updated Jul 23, 2020

• insilichem.github.io Archived

  Old website for InsiliChem - check commit f40387a9bfc03b240a2fbc1b547818ac5698f150
  HTML 0 0 1 1 Updated May 21, 2020

• gaudiview

  UCSF Chimera extension to explore and analyze GaudiMM & GOLD solutions

  visualization molecular-structures docking ucsf-chimera
  Python 3 3 1 0 Updated Apr 16, 2020

• tangram_nciplot

  Setup calculations for NCIPlot and visualize them in UCSF Chimera

  ucsf-chimera
  Python 0 2 1 0 Updated Apr 9, 2020

• gaudiviewx

  UCSF ChimeraX extension to explore and analyze GaudiMM solutions
  Python Apache-2.0 0 0 0 0 Updated Feb 17, 2020

• pgaudi

  A package for optimize the performance of the GaudiMM suite by external parallelization
  Python Apache-2.0 0 0 0 0 Updated Jul 16, 2019

• gaudicreate

  Forked from andresginera/gaudicreate
  Python 1 0 0 0 Updated Jul 3, 2019

• pychimera

  Use UCSF Chimera Python API in a standard interpreter

  python-2 python27 conda-recipe ucsf-chimera
  Python LGPL-3.0 5 40 2 0 Updated Mar 28, 2019

• scripts

  Miscellaneous collection of molecular modelling scripts
  Python 1 1 1 0 Updated Mar 27, 2019

• tangram

  🔲⚛️ A collection of molecular modelling tools for UCSF Chimera

  bioinformatics cheminformatics graphical-interface ucsf-chimera
  Shell 2 13 5 (1 issue needs help) 0 Updated Mar 26, 2019

• tangram_subalign

  Align two, potentially different, molecules based on partial matches of substructures in UCSF Chimera

  rdkit ucsf-chimera
  Python 1 1 3 0 Updated Mar 24, 2019

• tangram_taladraw

  2D to 3D constructor using BKChem drawing engine

  computational-chemistry ucsf-chimera 2d-3d
  Python 0 0 0 0 Updated Mar 24, 2019

• conda-recipes

  Miscelaneous conda recipes needed by our software
  Shell 0 1 1 (1 issue needs help) 0 Updated Mar 24, 2019

• cookiecutter-tangram

  A cookiecutter template for our set of UCSF Chimera extensions (Tangram)
  Python 0 0 0 0 Updated Mar 24, 2019

• garleek

  ↪️ QM/MM interfacing in Python ↩️

  computational-chemistry quantum-chemistry molecular-mechanics qmmm oniom
  Python MIT 5 4 2 0 Updated Feb 12, 2019

• bkchem

  Fork for https://gitlab.com/bkchem/bkchem to make it usable with UCSF Chimera
  Python 0 0 0 0 Updated Feb 7, 2019

• tangram_vinarelaunch

  Easily relaunch failed AutoDock Vina OPAL jobs from UCSF Chimera

  autodock ucsf-chimera vina
  Python 0 0 0 0 Updated Feb 1, 2019

• tangram_snfg

  3D implementation of The Symbol Nomenclature For Glycans (SNFG) for UCSF Chimera

  glycoproteomics ucsf-chimera
  Python 0 0 1 0 Updated Feb 1, 2019

• tangram_selection

  Experimental Tk widget to select items in UCSF Chimera a la Excel

  ucsf-chimera
  Python 0 0 0 0 Updated Feb 1, 2019

• tangram_propkagui

  Analyze and depict the expected pKa values of protein residues with PropKa 3.1 and view them in UCSF Chimera

  ucsf-chimera
  Python 0 0 0 0 Updated Feb 1, 2019

• tangram_popmusicgui

  Depict and apply the predictions made by PoPMuSiC calculations in UCSF Chimera

  ucsf-chimera
  Python 0 0 0 0 Updated Feb 1, 2019

• tangram_plipgui

  Depict protein-ligand interactions, as calculated with PLIP, in UCSF Chimera

  protein-ligand-interactions ucsf-chimera
  Python 2 1 0 0 Updated Feb 1, 2019

• tangram_orbitraj

  Modification of UCSF Chimera's MD Movie extension to play volumetric data

  ucsf-chimera
  Python 0 0 0 0 Updated Feb 1, 2019

• tangram_normalmodes

  Perform Normal Modes Analysis and view them directly on-screen with UCSF Chimera

  ucsf-chimera
  Python 0 0 0 0 Updated Feb 1, 2019

• tangram_mmsetup

  A graphical interface to run OpenMM simulations in UCSF Chimera.

  molecular-dynamics openmm ucsf-chimera
  Python 0 1 2 0 Updated Feb 1, 2019