[Biojava-dev] Support for .cif structure factors or electron density maps?

[Matt Larson]

Are there any methods in BioJava's API to create electron density maps from
structure factors?

The RCSB Protein Data Bank has switched from providing .mtz format to using
a .cif format for the structure factors.  BioJava already has mmCIF parsing
for _loop records that relate to the protein structure and could probably
easily support the new format for providing structure factors.

Using structure factors /w generated phases from coordinates and to create
density maps would be a harder task.  Is there any interest in this kind of
functionality in BioJava?  I saw a recent discussion related #224 ( Extend
biojava-structure to better support energy minimization ) that looked like
a promising area that could benefit from having real electron density or
methods for calculated structure factors.

-- 
Matt Larson, PhD
Madison, WI  53705 U.S.A.
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