On 07/06/2012 09:40 AM, Andrew Pannifer wrote:
Hi,
Is there a way to ask peakmax to output the volume of each electron
density peak that it detects (or is there a reasonably straightforward
way to do this via an alternative command line runnable approach?)
Cheers,
Alan
There might be a way to do it using some of the brilliant USF tools. A
somewhat convoluted workaround would be to cut the piece of the map
surrounding the peak, then converting it to mask using MAPMAN with
cutoff of your choosing. You can then use MAMA's island_erase method to
identify the main blob of density and count the nodes to get the volume.
You may want to look into MAPMAN peek command too. It allows both
getting the interpolated density value at the peak position and integral
density over volume surrounding it. If you make certain assumptions
about the peak shape (gaussian?) you can deduce the peak "volume" from
these two numbers.
Cheers,
Ed.
--
Oh, suddenly throwing a giraffe into a volcano to make water is crazy?
Julian, King of Lemurs
