Author Archives: Dan Gezelter

Re-purposing Open Source projects for Science

Posted on July 23, 2006 by Dan Gezelter

I’ve been having discussions with my colleague, Alex Kandel, about a software tool he’s been working on. He has 20,000 or so STM images that his group has taken over the past five years, and he is building a web … Continue reading →

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Posted in Science, Software | 2 Comments

Dance Like A Monkey!

Posted on July 22, 2006 by Dan Gezelter

Holy Cow. The legendary punk rock group, The New York Dolls, are back! And they recently went back into the studio to make a new album called One Day It Will Please Us To Remember Even This. On this album … Continue reading →

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Posted in Fun | 2 Comments

catool

Posted on July 8, 2006 by Dan Gezelter

catool is a cross-platform GPL tool for the analysis of internal combustion engine pressure data. It calculates parameters such as IMEP, MFB, Pmax, Knock pressure and calculates cycle statistics. Data can be imported in CSV or AVL IFile format and … Continue reading →

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Posted in Engineering | 1 Comment

iBabel cheminformatics and molecule viewer

Posted on July 5, 2006 by Dan Gezelter

This is an Applescript Studio application that provides a front-end for a variety of Cheminformatics tools. To date these include file conversion (between a vast range of chemical file formats), SMARTS-based substructure searching, similarity searching, list manipulation, overlaying using OpenBabel, … Continue reading →

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Posted in Molecule Viewers and Editors | Leave a comment

So….

Posted on June 27, 2006 by Dan Gezelter

So, imagine that there’s this odd verbal tic of most scientists in the US. They like to start sentences and paragraphs with the word “so” even if they aren’t drawing conclusions from discussions that went before. Back in January, The … Continue reading →

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Posted in Fun | 4 Comments

g3data

Posted on June 19, 2006 by Dan Gezelter

g3data is used for extracting data from graphs. In publications graphs often are included, but the actual data is missing. g3data makes the extracting process much easier. Find g3data at: http://www.frantz.fi/software/g3data.php

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Posted in Tools | Leave a comment

Free-software licenses

Posted on May 31, 2006 by Dan Gezelter

Everyone should go read Brooks Moses on Free-software licenses: requirements vs. requests. His post has made me re-think the license we use for our group simulation code. I’ve never like GPL because it essentially guarantees that friends in the corporate … Continue reading →

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Posted in Science, Software | 2 Comments

Justify your funds

Posted on May 31, 2006 by Dan Gezelter

Over at Seed Magazine, the corporate overlords of ScienceBlogs, the cool kids on the block have been asked this provocative question: Since they’re funded by taxpayer dollars (through the NIH, NSF, and so on), should scientists have to justify their … Continue reading →

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Posted in Policy | 3 Comments

Where’s the Fun in Home Experiments?

Posted on May 30, 2006 by Dan Gezelter

Wired magazine has an article called “Don’t Try This at Home” which starts by describing a recent CPSC raid on the house of the family that runs United Nuclear. We’ve mentioned UnitedNuclear before. They’re one of the few companies still … Continue reading →

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Posted in education, Fun, Policy, Science | 2 Comments

The CCP1GUI

Posted on May 26, 2006 by Dan Gezelter

The CCP1GUI project aims to develop a free, extensible Graphical User Interface to various computational chemistry codes developed by the worldwide academic community, with an emphasis on ab initio Quantum Chemistry codes. Find The CCP1GUI at: http://www.cse.scitech.ac.uk/ccg/software/ccp1gui/

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Posted in Molecule Viewers and Editors | Leave a comment