[phenixbb] Small change in molprobity report on output pdb between dev-2873 and dev-2919?
Christopher Williams
christopher.sci.williams at gmail.com
Mon Oct 9 09:48:33 PDT 2017
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 *
>
>
>
>
>
>
>
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