Comments (2)
I swear this issue was real... I just ran my code again and it ran through without issue.
Sorry for bothering you about this, I think I should maybe stop for today.
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I do not remember coding anything anywhere that would prevent B factors or occupancies to be 0.00
. I ran some tests and you can totally use atom.set_b_factor()
and atom.set_occupancy()
to set those properties to 0.0
. And the following very minimal PDB file was parsed and saved successfully:
ATOM 2 CA HIS A 465 34.226 -11.294 7.140 1.00 0.00 C
ATOM 3 C HIS A 465 33.549 -10.658 8.347 1.00 0.01 C
ATOM 8 CD2 HIS A 465 35.297 -8.322 5.762 0.00 49.56 C
ATOM 8 CD2 HIS A 465 35.297 -8.322 5.762 0.01 49.56 C
If you have any error messages you could share with me I will dive into it, but otherwise I do not see any problem. Besides that the B factor column is 'misused' quite often for other things then the b factor, so the library should totally support any logical numerical value.
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