Questions pertaining to 1) the file format used for electron density information acquired by x-ray crystallography and cryo-electron microscopy, or 2) the project to develop software for x-ray crystallography

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9
votes
2answers
329 views

How can I pare down a PDB file in Python to only include specific residues?

I'm trying to make a script that will take a MTZ file (reflections), convert it into a CCP4 map, then pare that map down to only encompass a desired area to cut down on the size of my PyMol session ...
5
votes
1answer
110 views

How do I prepare a PDB for submission to the Protein Data Bank?

I have a couple structures that are nearly ready to be deposited in the PDB. Out of curiosity, I ran them through the ADIT's precheck tool and they failed with one error after another, as I lacked ...
5
votes
1answer
360 views

How do you turn a minimal CIF description into a complete one?

I have a CIF file that I downloaded from the PDB, but if I try to use it in Coot, it complains that it is not a complete CIF definition. This page provides a batch script that I may be able to tease ...
3
votes
1answer
79 views

Getting xyz co-ordinates from a .map file (CCP4 format) in VMD

I have a .map file which contains x-ray crystallography data of a bacteriophage. The format of the file is CCP4. I can open the file using VMD. However, I am unable to get the xyz co-ordinates. It ...