pychemistry
A collection of python scripts for chemistry and biochemistry
Current Scripts
buffer_app
buffer_app
is a quick GUI (Tkinter or Qt) to quickly calculate recipes for stock buffer dilution and adjustment.
See buffer_app README for details.
mol2scad
mol2scad
is a script to turn molecular coordinates into SCAD files. Takes molfile / sdf coordinates as input, outputs a scad file for OpenSCAD.
See mol2scad README for details.
dashmichaelis
dashmichaelis
is a Dash webapp for regression fitting of enzyme kinetics data to a Michaelis-Menten model.
See dash_michaelis README for details.
dashbuffers
dash_buffers
is a Dash webapp for biochemical buffer adjustment.
See dash_buffers README for details.
Authors
These scripts are developed as academic software by Dr. Andrew J. Bonham at the Metropolitan State University of Denver. It is licensed under the GPL v3.0.