[phenixbb] real space rotamer restrains
pafonine at lbl.gov
Mon May 10 10:42:37 PDT 2021
thanks for sharing this and for your patience while waiting for the fix!
All the best!
On 5/10/21 06:36, Leonid Sazanov wrote:
> Dear Pavel,
> Many thanks for this fix!
> Using local_grid_search now does not produce those rare outliers -
> illustrated in the attachment for the benefit of others.
> "Before" is the earlier version refine run and "after" is using
> Best wishes,
> On 27.04.21 01:46, Pavel Afonine wrote:
>> Dear Leonid,
>> this is fixed now, residues won't leave good density any more. Next
>> nightly build (dev-4218):
>> should have the fix.
>> Please note, this is not the official released version meaning that
>> while it is automatically tested it is not tested as thoroughly as
>> regular official releases. With this in mind, it is advisable to keep
>> around whatever version you are using currently just in case while
>> using the latest nightly!
>> Let us know should you discover any more problems!
>> On 4/26/21 13:53, Pavel Afonine wrote:
>>> Dear Leonid,
>>> thanks for sharing files and my apologies for slow replies.
>>> I was able to reproduce the issue and I'm on it investigating right
>>> now. I agree, this looks bad!
>>> More soon as progress happens.
>>> All the best!
More information about the phenixbb