Re: [ccp4bb] Make Ligand error

2022-01-25 Thread YUVARAJ I
nor Dodson > > > On Tue, 25 Jan 2022 at 04:41, Paul Emsley > wrote: > >> >> On 25/01/2022 04:10, YUVARAJ I wrote: >> >> Respected Prof. Paul >> I added this ligand at three places, That why log file showed three >> molecules, >> >> I go

[ccp4bb] New Ligand building and refining

2017-12-19 Thread YUVARAJ I
Dear All, how to built a new ligand and refine the pdb, since the refmac is failed with the following message *Refmac died because it encountered a ligand not present in the monomer libraries it has read (i.e. the default CCP4 libraries plus any library you provided through the GUI). To continue, y

[ccp4bb]

2017-11-29 Thread YUVARAJ I
, resolution 1.6A). Is there any way to reduce the R-factor/ R-free further. Thanks Regards Yuvaraj On Tue, Nov 14, 2017 at 3:28 PM, YUVARAJ I wrote: > Dear all > What are the chemicals which give an anomalous signal at home > source (Cu *K*α radiation) apart from Lathanides

[ccp4bb]

2017-11-14 Thread YUVARAJ I
Dear all, How to change the origin of the reflection from the default value in imosflm or DIALS during Indexing. Is there any way to do it in CCP4i or CCP4i2 GUI. Thanks Yuvaraj --

[ccp4bb]

2017-11-14 Thread YUVARAJ I
Dear all What are the chemicals which give an anomalous signal at home source (Cu *K*α radiation) apart from Lathanides and Zinc acetate. What are the things I should taken care of to get sufficient anomalous signal to solve the structure. I have crystal data without anomalous signal a

[ccp4bb] change the origin of the origin of the reflection

2017-11-14 Thread YUVARAJ I
Dear all, How to change the origin of the reflection from the default value in imosflm or DIALS during Indexing. Is there any way to do it in CCP4i or CCP4i2 GUI. Thanks Yuvaraj