[phenixbb] Enhancement request for map formats

Schubert, Carsten [PRDUS] CSCHUBER at prdus.jnj.com
Tue Mar 4 08:55:46 PST 2008

Thanks Ralf,

I use map coefficients for coot, but for PyMol presentations I need to have maps, so I have to generate them during the runs. I'll look forward to the licence issues being resolved.


> -----Original Message-----
> From: phenixbb-bounces at phenix-online.org
> [mailto:phenixbb-bounces at phenix-online.org]On Behalf Of Ralf W.
> Grosse-Kunstleve
> Sent: Tuesday, March 04, 2008 9:27 AM
> To: phenixbb at phenix-online.org
> Subject: Re: [phenixbb] Enhancement request for map formats
> Hi Carsten,
> There are licensing issues, unfortunately. We are in somewhat of
> a holding pattern when it comes to integrating CCP4 libraries.
> The most compact format for storing map information is the mtz
> format, which we write along with the xplor maps. Have you looked
> into computing ccp4 maps using the coefficients in the mtz files?
> I realize it still as an additional step, but at least you don't
> have to deal with the size overhead of xplor maps (you can turn
> off the xplor maps with output.write_maps=False).
> Ralf
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