Wednesday, 27 May 2009

The RSC - Value for money?

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I don't usually advertise for chemical societies, but in these recessionary times I thought the following might be of interest to some r...
1 comment:
Thursday, 21 May 2009

Have your hamburger and eat it - Edit molecules in PDFs II

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In Part I , I showed how to hack some code together that allowed you to paste images directly from the clipboard (e.g. from a PDF) into Beda...
3 comments:
Saturday, 16 May 2009

How do enzyme mechanisms evolve?

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Evolution is a fascinating topic. Although the principal mechanism by which evolution occurs is quite simple to understand, namely the intro...
Tuesday, 5 May 2009

Manipulating PDFs with Open Source Tools - Part II

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Part I There are a couple of journals that have rather generous margins around the text. I prefer to print out two pages per sheet to avoi...

ChemPad - Protecting you from chemical structure software

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A colleague has just pointed me to ChemPad , an interesting piece of software that allows chemists to draw chemical diagrams directly into a...
1 comment:
Friday, 24 April 2009

Broken symmetry - Can SMILES and InChI ensure canonicalisation?

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I've been working on the SMILES code in OpenBabel over the last while. The longer I've spent on it, the more impressed I've been...
4 comments:
Tuesday, 14 April 2009

Are you on my side or not? It's E/Z

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Handling cis/trans stereochemistry with SMILES should be easy, right? You have the canonical examples for trans : A. I/C=C/Cl (I is down, C...
1 comment: