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As many know I wrote a GUI for the opensource cheminformatic toolkit Openbabel called iBabel. One of the options is to use the java applet Marvin for structure display and editing. A couple of people have asked me about the availablity of Marvin from ChemAxon so I thought I’d mention they also have a suite of…


A Review of Marvin 

ChemAxon are a software company that produce a variety of cheminformatics applications and software development modules. A key driver for development has been maintaining portability among various operating systems and a focus on web-based integration thus they have made extensive use of Java. Many of the tools are free to academics…


EGO, roundtrip and Linkback 

There has been considerable discussion on the Cambridgesoft forums about a number of problems for users that have arisen with the upgrades to both the Mac OS X operating system and the latest version of ChemBioDraw. One of the major problems that is that when a structure is pasted into…


Security Memory Performance 

With help from a friend, Mark Bellon, I ran a wide variety of tests on several different MacPro configurations. These benchmarks were designed to test the performance of the system on jobs with a large variation in their memory usage. For now, I’m only including plots for the case of…

Mac How To

Security TCBuild: A New Build Tool for Fortran 

Fortran 90 can include reasonably complex dependencies, which must be taken into account when building a multiple-file program. Unfortunately, most build tools either don’t support Fortran, or don’t help the developer much. A standard make file, for example, requires you to enter dependencies manually, or develop a script to do it for…


MacResearch: Science Related Requests for Apple 

Update: The Tri-Cameral meeting starts this Wednesday and to date we’ve only received ~30 responses. This is a perfect opportunity for scientists to get their requests heard by Apple. Apple takes these meetings very seriously. How seriously? Enough that they will send Bertrand Serlet, Apple’s Senior Vice President of Software Engineering,…