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1. 2D-protein-shape-matching 2D-protein-shape-matching Public

   find 2d views of proteins that look like your favorite shape

   Python 8 1

2. analysis-scripts analysis-scripts Public

   Some simple scripts for analyzing lists of data, both paired & unpaired.

   Python 4 1

3. auto-dud-e auto-dud-e Public

   Auto-DUD-E is a website for a test set of ligands & decoys for molecular docking.

   9 1

4. mol2db2 mol2db2 Public

   mol2db2 is a python program that takes various ligand files and turns them into a .db2 database for docking with DOCK.

   Python 7 2

5. traveldistance traveldistance Public

   Github version of Travel Distance code by me (Ryan Coleman) and my advisor (Kim Sharp). See http://crystal.med.upenn.edu/travel_distance.html for official download, academic paper references, licen…

   C 5 1

6. FindingKnottedAndLinkedVorticityLinesIn3DVectorFields FindingKnottedAndLinkedVorticityLinesIn3DVectorFields Public

   code from my master's thesis work. has sat in a backup folder for a decade. might be useful? java viewer seems nonfunctional as Java3D seems dead.

   C++ 1