Re: [AMBER] leap cannot read MOL2 file that it has written before: small fix suggested

From: Jan-Philip Gehrcke <jgehrcke.googlemail.com>
Date: Tue, 15 Nov 2011 12:48:13 +0100

Is a LEaP maintainer reading this? Should this issue be addressed
(should the change indicated below -- or a modified version -- be commited)?

Thanks,

Jan-Philip

On 11/11/2011 04:00 PM, M. L. Dodson wrote:
>
> On Nov 11, 2011, at 4:00 AM, Jan-Philip Gehrcke wrote:
>
>> Thanks for your comment, Bud. I propose a new change (explanation follows):
>>
>> --- src/leap/pdbFile.c.old 2011-11-11 10:54:44.552943823 +0100
>> +++ src/leap/pdbFile.c 2011-11-11 10:52:11.704288206 +0100
>> .. -1301,6 +1301,7 ..
>> prPPdb->rRes = NULL;
>> prPPdb->iPdbSequence = -9999;
>> prPPdb->uUnit = (UNIT)oCreate(UNITid);
>> + ContainerSetName(prPPdb->uUnit, "default_name");
>> prPPdb->iNextUnit = 0;
>> if ( prPPdb->iMaxSerialNum == 0 ) {
>> VP0(( "\tNo atoms!\n" ));
>>


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Received on Tue Nov 15 2011 - 04:00:03 PST
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