Dear Yahui,

>
> I am looking for a PDB editing tool to replace the B-factors numbers with 
> another column of numbers

It depends where you get that new column of numbers from. There are
tools in CCP4 that set all B-factors to a given value, or clamp the
values to a certain range. Recently, it looked like we needed a tool
to copy quality indicators from _ma_qa_metric_local.metric_value to
B-factors, because Boltz-1 didn't write these values in B-factors (as
AF3 and Chai-1 do). It was just 10-20 lines of code, but then Boltz-1
developers changed their mind and decided to write B-factors like
other programs, so this conversion became no longer needed.

In general, you may need a script like the one from Clemens. I just
tried asking Claude Sonnet (claude.ai) to "write example code that
replaces B-factors in a PDB file with another column of numbers" and
it produced a Python script that looks reasonable. I haven't tested
it, but I see that Claude remembers what PDB columns contain
B-factors. So the barrier for writing custom scripts is lower now, and
it will keep getting lower.

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