List of Tans¶
Calculation setup
Visualization
- 3D-SNFG: Enable easy visualization of saccharydic residues
- BondOrder: Automatic bond order perception for UCSF Chimera [WIP]
- GAUDIView: Lightweight visualization of results coming from docking, conformational search or multiobjective optimization
- TalaDraw: Build 3D structures out of two-dimensional sketches
Analysis
- NCIPlotGUI: Straightforward interface to setup calculations for NCIPlot and visualize them
- NormalModes: Perform Normal Modes Analysis and view them directly on-screen
- PLIPGUI: Depict protein-ligand interactions, as calculated with PLIP
- PoPMuSiCGUI: Depict and apply the predictions made by PoPMuSiC calculations
- PropKaGUI: Analyze and depict the expected pKa values of protein residues with PropKa 3.1
- SubAlign: Align two, potentially different, molecules based on partial matches of substructures
Utilities & Patches
- DummyMetal: A subtle modification to UCSF Chimera’s MetalGeom extension to allow arbitrary elements to be placed at vacant positions, instead of just oxygens
- OrbiTraj: A subtle modification to UCSF Chimera’s MD Movie extension to allow the visualization of volumetric data along a molecular trajectory
- ReVina: Resubmit failed AutoDock Vina jobs without reconfiguring the GUI