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Now we can add a full mmCIF header to a new set of coordinates, e.g.

In [1]: from prody import *

In [2]: ag1, header1 = parseMMCIF('D_1292146224_model-review_P1.cif', header=True)
@> 30156 atoms and 1 coordinate set(s) were parsed in 6.96s.

In [3]: ag2 = parsePDB('refined-coot-3.pdb')
@> 29673 atoms and 1 coordinate set(s) were parsed in 0.29s.

In [4]: writeMMCIF('D_1292146224_model-review_P1_chimera-coot-6-refmac-coot-3-prody.cif', ag2, header=header1)

@jamesmkrieger jamesmkrieger marked this pull request as draft June 10, 2025 19:26
@jamesmkrieger
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Actually, this isn't quite there

@jamesmkrieger jamesmkrieger marked this pull request as ready for review June 10, 2025 21:40
@jamesmkrieger jamesmkrieger marked this pull request as draft June 10, 2025 21:44
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This now more or less works but it is very very slow. It also doesn't have anything about the order of non-loop tables and the starDict that I've made is not a useful structure for interrogating the metadata.

I'll probably improve it further to address these 3 points

@AnthonyBogetti
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@anupam-banerjee Also can you check this one too?

@AnthonyBogetti AnthonyBogetti marked this pull request as ready for review December 4, 2025 15:29
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2 participants