[phenixbb] Small change in molprobity report on output pdb between dev-2873 and dev-2919?
Pavel Afonine
pafonine at lbl.gov
Mon Oct 9 09:44:13 PDT 2017
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
> Phone: 972-8-647-2220 Skype: boaz.shaanan
> Fax: 972-8-647-2992 or 972-8-646-1710 /
> //
> //
> /
>
> /
>
>
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