fix b_factor field overflow for values rounding up to a wider integer part - #161
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99.996 formats as 100.00 (7 chars), which spilled into the segid/element columns and broke the 80-char ATOM line. The old check compared the raw integer-part length against the formatted width, so anything that rounds up a digit was misclassified. Now the formatted string itself decides. Fixes BioPandas#109
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The b_factor format check compared the raw integer-part length against the 6-char PDB field width, so anything that rounded up across a digit boundary took the wrong branch: 99.996 formats as "100.00" (7 chars) and the extra char spilled into the segid/element columns, pushing the line past 80 chars. That is the overflow from #109 (MDAnalysis then read the stray digit as a segid and turned one chain into thousands).
The check now uses the formatted string. 97.39 / 99.99 / 99.996 / 100.32 / 999.99 all come out as 80-char lines with the element in cols 77-78. Values >= 1000.00 still overflow; PDB v3 simply has no room for them in a 6-char field, behavior unchanged, noted in the docstring.
tests/pdb/test_to_pdb_bfactor.py covers the rounding-up edge. pdb suite green locally (49 passed; test_b_factor_shift deselected here, it needs RCSB network).
Fixes #109