Hi,
MengJuei Hsieh wrote:
> Hi,
>
> No, I did not see the PASS output, here are some parts of the output:
>
> diffing sustiva.mol2.save with sustiva.mol2
> PASSED
> ==============================================================
> diffing frcmod.save with frcmod
> PASSED
> ==============================================================
> diffing leap.out.save with leap.out
> possible FAILURE: check leap.out.dif
> ==============================================================
>
> and this
>
> diffing 1ubqH.pdb.save with 1ubqH.pdb
> possible FAILURE: check 1ubqH.pdb.dif
> ==============================================================
> diffing messages.save with messages
> possible FAILURE: check messages.dif
> ==============================================================
>
> PS. I haven't figured out why 1ubqH.pdb fails...
On my box, 1ubqH.pdb fails because certain lines (those starting with
HEADER, COMPND, SOURCE, AUTHOR, REVDAT, JRNL, FORMUL, HELIX, SHEET,
TURN, CRYST1, ORIGX1, ORIGX2, ORIGX3, SCALE1, SCALE2, SCALE3, TER and
END) are missing their last character, which forms part of a number
field of some kind.
I can also confirm that I see the errors reported by Mengjuei for
leap.out and messages.
Cheers,
Ben
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Received on Mon Nov 30 2009 - 12:30:05 PST
