[Chimera-users] X-PLOR format, finding a maximum

[Gustaf Olsson]

Hello Chimera users

This might be a somewhat “of-topic” question though I thought that this would be a good place to start.

When loading density maps (particularly the X-PLOR format density maps) into Chimera the 'volume viewer’ window provides a maximum number of gridpoints for the map.

My question has to do with the format of the XPLOR files. The documentation regarding this format is rather sparse and my I have not been keeping my knowledge regarding matrices up to date. Is there a way to identify this maximum value by just inspecting the content of these files?

I have a lot of these files and as I en up presenting results only for ligands with grids visible above a specific cut-off, I though it would save me a lot of time and headache if I could just load the density maps with maximum densities above the cutoff. My though was to just parse the files through AWK or similar to find files with a x > a and then only load these. Sadly, I keep looking at the content of these files and I am not able to make much sense of what I am looking at.

Any solutions, suggestions or suggested reading to be able to find a way to create a solution would be greatly appreciated.

Best regards
// Gustaf