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Re: calculate distance between atoms and a target atom

by toolic (Bishop)
on Dec 02, 2013 at 22:09 UTC ( #1065328=note: print w/ replies, xml ) Need Help??


in reply to calculate distance between atoms and a target atom

I get a lot more warnings. For example
Name "main::ZNx" used only once: possible typo at .... Name "main::Znz" used only once: possible typo at ....
$ZNx is a different variable from $Znx because Perl is case-sensitive. You really want to start using strict (Tip #1 from the Basic debugging checklist).

Also, you probably want to change:

if ($pdbline =~ /OD2 ASP/ or /NE2 HIS/)

to:

if ($pdbline =~ /OD2 ASP/ or $pdbline =~ /NE2 HIS/)

Replies are listed 'Best First'.
Re^2: calculate distance between atoms and a target atom
by PerlSufi (Friar) on Dec 02, 2013 at 22:12 UTC
    yeah, toolic gave a better recommendation :)

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