Re: [AMBER-Developers] ambpdb -aatm prints nulls in output PDB

From: Tom Joseph <ttjoseph.gmail.com>
Date: Fri, 12 Feb 2010 18:41:07 -0500

Sounds good to me. Thanks!

--Tom

2010/2/12 Ben Roberts <roberts.qtp.ufl.edu>:
> Hi Tom,
>
> Thanks for the report.
>
> I've committed a patch that sets "element" to "   " in the aatm case. I
> thought that might be safer, as it ensures that the lines are the same
> length, and we don't risk failing to print the element info in cases where
> it is defined.
>
> I hope that's satisfactory. Let us know if more problems arise.
>
> Thanks,
> Ben
>
> Tom Joseph wrote:
>>
>> The output of ambpdb -aatm contains null characters that can confuse
>> leap and other tools. This is because the "element" variable in
>> ambpdb.f90 is never set when -aatm is specified but it is printed
>> anyway. The patch below fixes the problem by not printing the element
>> field when -aatm is specified.
>>
>> Thanks,
>> --Tom
>
>
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Received on Fri Feb 12 2010 - 16:00:03 PST
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