Macs in Chemistry

Insanely great science

Tutorials, Tips and Tricks

Preview:- Tips and tricks for using Preview
PYMOL:- Using PYMOL with Plugins
Automator workflow:- Combining PDFs
Spotlight:- Tips and tricks for using Spotlight
ChemBioDraw:- Using HotKeys in ChemBioDraw
Knime:- Knime Tutorial
Safari Extensions:- A Tutorial showing how to create a Safari Extension
ChemDoodle Web Components:-Exploring ChemDoodle Web Components
Protein Data Bank Demo and Canvas Technology Analysis Building a PDB query tool
ChemDoodle Web Components 3.0 3D ChemDoodle Web Components with WebGL
ChemDoodle_Protein_ribbon:- Creating Protein Ribbons using ChemDoodle and Web GL
Applescript:- A series of Applescript tutorials
Using Flot and ChemSpider:- Creating interactive plots
Using Flot and ChemDoodle Web Components:- Creating interactive plots
Using Flot and Chemical Identifier Resolver:- Creating interactive plots
Getting data from a dead Mac:- Removing hard drives and installing in external enclosure
Using PTHPasteboard Pro 4:- Multiple clipboards and modifying text on the clipboard
Scripting Vortex:- Calculating molecular properties using OpenBabel
Scripting Vortex 2:- Calculating molecular properties using filter-it
Scripting Vortex 3:- Calculating molecular properties using the ChemAxon cxcalc
Scripting Vortex 4:- Calculating molecular properties using CCG MOE
Scripting Vortex 5:- Calculating molecular similarities using OpenBabel
Scripting Vortex 6:- Filtering molecules using filter-it
Scripting Vortex 7:- Calculating molecular properties using MayaChemTools
Scripting Vortex 8:- Molecular shape matching
Scripting Vortex 9:- 2D depiction of 3D structures
Scripting Vortex 10:- Interacting with the user
Scripting Vortex 11:- Using a web service
Scripting Vortex 12:- JSON import
Scripting Vortex 13:- Using OpenBabel fastsearch
Calculation Fields in Vortex:- Using Calculation Fields in Vortex to construct algorithms
A 3D viewer in Vortex:- Viewing Docking results in Vortex using Astex Viewer
Scripting a web service:- Scripting the Organic Chemistry Reference Resolver
Scripting CIR:- Scripting the Chemical Identifier Resolver
Searching eMolecules:- Using ChemBioDraw as the drawing package to search eMolecules
Scripting ChemBioDraw:- Scripting ChemBioDraw to convert cdx to png
Remote Printing:- Printing from your iPad/iPhone using a folder action
Export Notes to Evernote:- A service to automate export notes to Evernote
Cheminformatics on a Mac:- A talk I gave at the Cambridge University Cheminformatics Group Meeting
Marvin web-service:- Accessing the Chemical Identifier Resolver from Marvin
PAINS filter:-A Pan Assay Interference Compounds Filter for filter-it
LigPlot+:-Running LigPlot+ under Mac OS X

Compilations of data analysis tools, reference management software, GPU-accelerated applicationsand spectroscopy software

Updated 7 May 2013