Hi Mark,
So, let me say if I add a patch in chamber that would accept a flag in the
input command where I would "affirm" the input psf is x-plor format (rather
than let chamber to guess it), with other appropriate modifications, it
would in principle work, wouldn't it?
Thanks in advance,
Alan
On Fri, Feb 19, 2010 at 07:27, Balazs Jojart <jojartb.gmail.com> wrote:
> Dear Mark,
> Thank you for your quick and detailed explanation.
> Balazs
>
>
> Mark Williamson wrote:
>
>> Mark Williamson wrote:
>>
>> 1 AAL 1 ALA N 56 -0.300000 14.0070 0
>>> 0.00000 -0.301140E-02
>>>
>>> when in fact it is getting:
>>> 1 P1 1 ALA N NH3 -0.300000 14.0070 0
>>>
>>> Note the difference in fields containing 56 and NH2.
>>>
>> Sorry, typo: 56 and NH3
>>
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--
Alan Wilter Sousa da Silva, D.Sc.
PDBe group, PiMS project http://www.pims-lims.org/
EMBL - EBI, Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD, UK
+44 (0)1223 492 583 (office)
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Received on Fri Feb 19 2010 - 01:00:03 PST
