Dear Nasos & Hailiang,
Gerard Kleywegt's MAPMAN calculates the
RSR, discussed here:
http://xray.bmc.uu.se/usf/mapman_man.html#S41
Mark
On 21 May 2010 23:54, Athanasios Dousis <ndou...@rice.edu> wrote:
> Hello all,
>
> I'm forwarding a question from my labmate Hailiang Zhang regarding
> OVERLAPMAP and real-space R factors.
>
> Thanks in advance for your suggestions.
>
> Nasos Dousis
> Rice University
>
> P.S. Can someone please add haili...@bcm.tmc.edu to the CCP4BB listserv?
>
> -------- Original Message -------- Subject: calculate the real space R
> factor using OVERLAPMAP Date: Fri, 21 May 2010 17:48:47 -0500 From: Zhang,
> Hailiang <haili...@bcm.tmc.edu> <haili...@bcm.tmc.edu> To:
> ndou...@rice.edu <ndou...@rice.edu> <ndou...@rice.edu>
>
> Hi,
>
> I wanted to calculate the real space R factor using OVERLAPMAP. According to
> the general definition of real space R value
> (http://reference.iucr.org/dictionary/Real-space_residual), everything should
> be absolute value in the formula. However, the results by OVERLAPMAP were
> giving massive negative values. I also checked OVERLAPMAP documentation and
> found that the absolute sign seems absent in the R factor formula
> )http://smb.slac.stanford.edu/facilities/software/ccp4/html/overlapmap.html).
> I was just wondering whether there is some other tools in eg CCP4, Phenix or
> CNS to calculate real-space R in the general way in absolute values.
>
> Thanks!
>
>
--
Skype: markabrooks
