[BioRuby] Bug in writing PDB ATOM
Yen-Ju Chen
yjchenx at gmail.com
Thu Feb 8 22:54:09 UTC 2007
In bio/db/pdb/pdb.rb line 1019,
the ATOM entry is written as:
sprintf("%-6s%5d %-4s%-1s%3s %-1s%4d%-1s
It results an ATOM entry as:
ATOM 61 OD1 ASN A 8 102.025 27.929 144.984 1.00 88.56 O
But the right ATOM entry should be
ATOM 61 OD1 ASN A 8 102.025 27.929 144.984 1.00 88.56 O
Note there are 2 spaces after '61' and one space before 'ASN'
I change this line to:
sprintf("%-6s%5d %-3s%-1s%3s %-1s%4d%-1s
and it works fine now.
But I am new to Ruby and not familiar with the format yet.
Yen-Ju
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