Re: [ccp4bb] Calculation of surface area of active site

[Ramanuj Banerjee]

Hello Thripthi,
You can try PDBePISA for calculating the buried surface 
area and interface area for the active site in your structure.

https://www.ebi.ac.uk/pdbe/pisa/

Regards
Ramanuj



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Re: [ccp4bb] Merging with CAD files

[Ramanuj Banerjee]

Hi,

   I used CAD for merging datasets during MIR. I faced the same problem. The 
solution is: the datasets you are trying to merge should have different labels 
i.e if dataset 1 has labels: F and SigF, dataset 2 should be F_d1 and SigF_d1. 
Mention the labels during the cad run. 

Ramanuj Banerjee
Crystallography and molecular Biology Division
Saha Institute of Nuclear Physics,
Kolkata, INDIA

Re: [ccp4bb] Symmetry related molecules

[Ramanuj Banerjee]

symmetry related molecules can be generated in pymol by :
1. opening the coordinates in pymol
2. Actions, generate, symmetry mates, radius

[ccp4bb] salt or protein

[Ramanuj Banerjee]

Dear Jayashankar,
 I had several instances where salt crystals of 
the same component takes different morphologies. So it is very possible, as it 
appears that the hexagonal forms are also those of the salt components in the 
precipitant/buffer. You can confirm the same by fishing out the crystals and 
running it on sds-page.

Re: [ccp4bb] problem with pdb & its symmetry molecule

[Ramanuj Banerjee]

Dear All,
   Thank you for your kind reply. After reading the suggestions, I 
too think that this is the solution. Thank you once again.


  


  Ramanuj Banerjee