Macs in Chemistry

Insanely Great Science

Cheminformatics for Drug Design: Data, Models & Tools


A joint meeting Organised by SCI's Fine Chemicals Group and RSC's Chemical Information and Computer Applications Group

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A4 Cheminfo flyer


Support of indirect GLX (iGLX) in XQuartz.


There is an important discussion taking place on the X11 users list regarding the support of indirect GLX (iGLX) in XQuartz.

Indirect GLX is an extension offered by X11 that enables the transmission of OpenGL commands from an X11 client on a remote machine to an X11 server on your desktop over the network. For example, when your OpenGL science application running on a remote host tries to draw images using OpenGL and display on your local XOrg (XQuartz) desktop, IGLX (red line below) is used to send the commands to your local X server, which then uses OpenGL locally to draw the commands.


In seems in the latest version of XQuartz (2.7.9) this is turned off by default and there appears to be a move to deprecate this protocol. This seems to have been prompted by security concerns but I know nothing of the details.

However many scientific applications use this capability and it seems there is no alternative. If this is likely to be an issue for you I suggest you subscribe to the X11 list and make your views known.


MolSync web structure searching


Interesting post on structure based searching via a web interface.

The MolSync website and the technology behind it have been moving forward rapidly. The public-facing deployment now shows a proof of concept page for performing molecule searches:


Cytoscape Update


Cytoscape has been updated to version 3.4.0

Note, This update requires Java 8 is installed and Mac OS X 10.9 and later.

Cytoscape is an open source software platform for visualizing molecular interaction networks and biological pathways and integrating these networks with annotations, gene expression profiles and other state data.


Papers updated


The very popular reference management application Papers has been updated. to version 3.4.5 (512).

Release Notes

  • Match with Selection now works in the Reader mode.
  • Papers no longer crashes if an incorrect EZProxy address is entered in the Access preferences.
  • General stability improvements.


There are more reference management applications here.