[phenixbb] Small change in molprobity report on output pdb between dev-2873 and dev-2919?

[Christopher Williams]

I'll take a look.  Thanks for noticing!

-Christopher Williams
---Richardson Lab

On Mon, Oct 9, 2017 at 12:44 PM, Pavel Afonine <pafonine at lbl.gov> wrote:

> 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 at bgu.ac.il <bshaanan at bgu.ac.il> Phone: 972-8-647-2220  Skype:
> boaz.shaanan                  Fax:   972-8-647-2992 or 972-8-646-1710    *
>
>
>
>
>
>
>
> _______________________________________________
> phenixbb mailing listphenixbb at phenix-online.orghttp://phenix-online.org/mailman/listinfo/phenixbb
> Unsubscribe: phenixbb-leave at phenix-online.org
>
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20171009/d93c83cc/attachment.htm>