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

2023-06-26 Thread 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 To unsubscribe

Re: [ccp4bb] Merging with CAD files

2011-11-05 Thread 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

Re: [ccp4bb] Symmetry related molecules

2011-08-05 Thread 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

2011-05-29 Thread 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

Re: [ccp4bb] problem with pdb its symmetry molecule

2011-04-26 Thread Ramanuj Banerjee
. Ramanuj Banerjee