Hi Boaz,

I had to disable it because it required re-calculation of all other Molprobity metrics twice, which it time waste.

@developers: Can someone from Richardson Lab fix this?

Pavel

On 10/9/17 09:35, Boaz Shaanan wrote:

Hi,

I noticed a small change in output pdb between these two versions in the molprobity report  (these are two different runs, so ignore the numerical values)t:

dev-2919:

REMARK   3  REMARK   3 
REMARK   3  MOLPROBITY STATISTICS.
REMARK   3    ALL-ATOM CLASHSCORE : 3.13
RAMACHANDRAN PLOT:
REMARK   3      OUTLIERS : 0.46  %
REMARK   3      ALLOWED  : 3.24  %
REMARK   3      FAVORED  : 96.30 %

dev-2873:

REMARK   3  MOLPROBITY STATISTICS.
REMARK   3   ALL-ATOM CLASHSCORE : 2.56
REMARK   3   MOLPROBITY SCORE    : 1.24  This line is missing from the newer version
REMARK   3   RAMACHANDRAN PLOT:
REMARK   3     OUTLIERS : 0.46  %
REMARK   3     ALLOWED  : 2.78  %
REMARK   3     FAVORED  : 96.76 %

I am just wondering whether this change is intentional.

   Cheers,

             Boaz

 

Boaz Shaanan, Ph.D.                                        
Dept. of Life Sciences                                     
Ben-Gurion University of the Negev                         
Beer-Sheva 84105                                           
Israel                                                     
                                                           
E-mail: bshaanan@bgu.ac.il
Phone: 972-8-647-2220  Skype: boaz.shaanan                 
Fax:   972-8-647-2992 or 972-8-646-1710    

 

 

                

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