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When looking at an atom record I discovered that the whitespaces do not get stripped from the atom/element names when they are parsed.
An example: Dict{String, AbstractAtom}(" CA " => Atom CA with serial ,.....
As you can see, CA is sorrounded by spaces, which is kind of inconvenient. I suggest changing the function parseatomname in pdb.jl to the following:
function parseatomname(line::String, line_n::Integer=1)
try
return strip(line[13:16])
catch
throw(PDBParseError("could not read atom name", line_n, line))
end
end
And the same for parseelement.
The text was updated successfully, but these errors were encountered:
When looking at an atom record I discovered that the whitespaces do not get stripped from the atom/element names when they are parsed.
An example:
Dict{String, AbstractAtom}(" CA " => Atom CA with serial ,.....
As you can see, CA is sorrounded by spaces, which is kind of inconvenient. I suggest changing the function parseatomname in pdb.jl to the following:
And the same for parseelement.
The text was updated successfully, but these errors were encountered: