Re: [AMBER] AmberTools suppose program

From: Yu Chen <chenyu.umbc.edu>
Date: Tue, 9 Dec 2014 22:30:44 -0500

Hello, Dr. Case,

Yes, with your suppose.nab, it's working. Some simple tests have just
passed fine. Will let other lab members to run more tests tomorrow.

Thank you!

Best,
Chen


On Tue, Dec 9, 2014 at 9:56 PM, David A Case <case.biomaps.rutgers.edu>
wrote:

> On Tue, Dec 09, 2014, Yu Chen wrote:
> >
> > On OS X 10.6.8, I used macports gcc45. The compiling went without any
> > problems. (make suppose). But when I try to run it with some pdb files
> > (./suppose -fit ":15-18,106-109:C*,N*,O*,P" ./oldpdb/*.pdb or similar
> > command), it just dies with "Segmentation fault".
>
> I can reproduce this, but not quite understand how it has stopped working.
> On the other hand, suppose.nab was last updated in 2000 (!), and somehow
> the
> nab compiler has moved on....
>
> As a workaround, please use the "suppose.nab" that is attached: compile as
> before, put into your path, and give this a try. This bypasses an error
> message, so be on the lookout for messages like this:
>
> superimpose: atom mismatch: ....
>
> I'm cc-ing this to Tom Macke, who may have some insight here: Tom: see the
> attached code at line 211-212, which is segfaulting. Looks like some
> conflict between REF_MATRIX_T and MATRIX_T.)
>
> Thanks for the report; it is clear that not many people are using suppose,
> so be sure to report any other problems you have.
>
> ....dac
>
>
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Received on Tue Dec 09 2014 - 20:00:02 PST
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