Macs in Chemistry

Insanely Great Science

Apple hardware in science

Reasons to use Apple technology in a scientific environment. Read More...
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SPSS 16 available

A new version of SPSS is available.

SPSS is one of the real heavyweights in the statistical analysis area but the Mac version lagged behind. It now looks like version 16 brings a major upgrade for Mac users
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An Applescript Droplet that uses a command-line application

How to create a droplet that accesses a UNIX application. Read More...
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Applescript Tutorials

Updated Applescript Tutorials Read More...
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Data Analysis Tools

I've just added Regress+ to the page of data analysis tools. Read More...
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Applescript Lecture

I gave a lecture at the Scientific computing meeting at Cambridge University on using Applescript to build a User interface for Unix command-line applications. Read More...
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Intel Compilers

Intel has released a new version of their compilers (C++ and Fortran) that appears to work properly on Mac OS X Leopard Read More...
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CLC Workbench

Update to the CLC bioinformatics workbenches. Read More...
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LibraryMCS

I just heard about this offering from ChemAxon LibraryMCS clusters a set of chemical structures on a structural basis. Read More...
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Print Folder Contents

An applescript to print the names of all files and folders within a chosen folder (and sub-folders) using a couple of unix commands wrapped in an applescript. Read More...
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NAG libraries for Intel Macs.

The Numerical Algorithms Group has announced the release of the NAG libraries for Intel Macs.
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OnScreen DNA

DNA visualization tool available. Read More...
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Applescript Tutorial 9

Embedding chemical metadata into image files. Read More...
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Aabel updated

Just in from Gigawiz, Aabel updated for Leopard. Read More...
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Applescript tutorial 8

Getting chemical structure embedded in images. Read More...
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proFit updated

ProFit updated for Leopard. Read More...
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Docking.org

John Irwin has updated the docking.org site. Read More...
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X11 in Leopard problems

In Leopard, Apple switched from XFree86 to X.org for its X11 implementation. This seems to have caused a number of issues.
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TinkerTool

A new version of TinkerTool is available. Read More...
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Chemdraw Plugin

Issues with Chemdraw plugin. Read More...
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Scientific Applications under Mac OS X 10.5

It is often difficult to find compatibility information about scientific applications under a new version of the operating system. Read More...
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Papers

I see that the reference management application Papers has been updated. Read More...
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MatLab under Leopard

Mathworks are reporting that MatLab runs under Mac OS X 10.5 there are two significant issues with running Simulink on Mac OS X 10.5: Read More...
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Mathematica Player

Ever wondered how you might share Mathematica notebooks with people who don't have a copy of Mathematica?
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2007 Nobel Prizes

Two European scientists France's Albert Fert and Germany's Peter Gruenberg have won the 2007 Nobel Prize in physics Read More...
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Multicore processing

Is the trend towards multi-core processing leading towards major problems ahead? Read More...
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mMass

mMass - Open Source Mass Spectrometry Tool Read More...
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Using a web Viewer to render structures

Using a web viewer within the FileMaker database to display a web page that uses the chemdraw plugin to render the structure. Read More...
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RSS Feed

Feedburner RSS feed working. Read More...
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Migrating from Parallels to Fusion

There is a very useful article on MacCentral regarding "Migrating from Parallels to Fusion". Read More...
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Updated Reference Management Applications

Updated Reference Management Applications page Read More...
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Apple Store Offer to students

Students can get an iPod with free with a laptop purchase.

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Comparing version number in applescript

Using the applescript command "considering numeric strings" Read More...
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Apple September Special Event

The new iPod lineup. Read More...
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A Review of the latest version of ChemBioDraw

I've written a review of the latest version of ChemBioDraw (AKA ChemDraw) Read More...
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Bringing Scientific Applications to Mac OS X

Poll to test "Test the water" on brining applications to Mac OS X Read More...
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LabView on the Mac

A summary of the LabView on Mac meeting. Read More...
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MOE

Updated MOE Review Read More...
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BibDesk

BibDesk has been updated. Read More...
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AutoDock

The molecular docking program AutoDock has been updated to version 4.

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EndNote XI

EndNote has been updated to version XI Read More...
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CrystalEye

The aim of the CrystalEye project is to aggregate crystallography from web resources. Read More...
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Gigaelement FFTs on x86-based Apple clusters

Yet more from the Advanced Computation Group. Read More...
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Aabel

Aabel has been updated Read More...
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LigBuilder

Compiling LigBuilder under Mac OS X. Read More...
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Virtulization under MacOSX

A comparison of the different ways to run Windows applications on a Mac. Read More...
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RSS Feed

Now using Feedburner Read More...
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ChemAxon

I had a message from ChemAxon saying they had updated some of their products and I thought it might be worth a summary of their wares. Whilst Java based everything works fine on a Mac and note:-
  1. Instant JChem Personal (an new OS independent desktop application for working with chemical and non chemical data) and Marvin, a chemical editor and viewer suite are free for all users
  2. All products are free for academic teachers and researchers - including the enterprise edition of Instant JChem
  3. Most products are free for freely accessible, non commercial websites
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Reference Management Applications

Page Updated

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GSAS

Latest version of GSAS is now available for Intel Macs. Read More...
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Reference Management Applications

A list of MacOSX reference management applications.

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Support for Quicklook and coverflow for ChemDraw files

I sent in a request to Cambridgesoft asking them if it would be possible to support Quicklook and coverflow visualization of Chemdraw files

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Print the clipboard

Print the clipboard directly. Read More...
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iNMR

I see there is a new version of iNMR available. Read More...
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JAMMING

JAMMING provides a means to identify critical residues from protein 3D structures. Read More...
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pro Fit 6.1

pro Fit 6.1.0 has been released Read More...
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MestReNova

MestReNova is the natural evolution of the popular NMR application MestReC Read More...
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Data Analysis Tools

Data Analysis Tools web page updated. Read More...
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How to Properly Use SSE3 and SSSE3

How to Properly Use SSE3 and SSSE3 (and Future Intel Vector Extensions) Read More...
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Rendering chemical structures in the database

Chemical structure rendering by scripting ChemDraw. Read More...
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Substructure searchable database

Creating a sub-structure searchable chemical database. Read More...
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Apple Advanced Computation Group

Advanced Computation Web Page Read More...
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PyMOL and Plugins

Using PyMOL Plugins under Mac OS X

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Review of Mathematica 5.2 and Mathematica Workbench

A review of Mathematica 5.2 and Mathematica Workbench.

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Combining PDFs an Automator Workflow

How to combine multiple pdf files.

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Applescript Tutorial 4 added

Latest Applescript tutorial has been added Read More...
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