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Author: Justine Dune

ChemAxon 

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…

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…

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…

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…

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…

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…