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biometall

BioMetAll is a command line application to allow the identification of metal-binding sites in proteins from backbone preorganization.

bkchem

Fork for https://gitlab.com/bkchem/bkchem to make it usable with UCSF Chimera

catalytic_amyloids

conda-recipes

Miscelaneous conda recipes needed by our software

cookiecutter-tangram

A cookiecutter template for our set of UCSF Chimera extensions (Tangram)

esigen

:memo::sparkles: Generate supporting information documents for your computational chemistry manuscripts - Documentation: https://esigen.readthedocs.io

esigen-loading

Simple HTML webpage to present a loading screen while Heroku boots

garleek

:arrow_right_hook: QM/MM interfacing in Python :leftwards_arrow_with_hook:

gaudi

GaudiMM: A modular optimization platform for molecular design

gaudicreate

gaudinspect

GaudiMM standalone GUI for input creation and output analysis [DEPRECATED]

gaudiview

UCSF Chimera extension to explore and analyze GaudiMM & GOLD solutions

gaudiviewx

UCSF ChimeraX extension to explore and analyze GaudiMM solutions

gpathfinder

Identification of ligand binding pathways by a multi-objective genetic algorithm

insilichem.github.io

Old website for InsiliChem - check commit f40387a9bfc03b240a2fbc1b547818ac5698f150

insilichem_com

InsiliChem website, powered by Hugo and Netlify

libtangram

Common code for all Tangram extensions

ommprotocol

A command line application to launch molecular dynamics simulations with OpenMM

pgaudi

A package for optimize the performance of the GaudiMM suite by external parallelization

pychimera

Use UCSF Chimera Python API in a standard interpreter

scripts

Miscellaneous collection of molecular modelling scripts

talaia

Simplistic 3D dictionary of amino acids using geometric shapes for UCSF Chimera

tangram

:black_square_button::atom_symbol: A collection of molecular modelling tools for UCSF Chimera

tangram_bondorder

Bond order perception extension for UCSF Chimera [WIP]

tangram_dummyatoms

tangram_mmsetup

A graphical interface to run OpenMM simulations in UCSF Chimera.

tangram_nciplot

Setup calculations for NCIPlot and visualize them in UCSF Chimera

tangram_normalmodes

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

tangram_orbitraj

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

tangram_plipgui

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