CCP4 now has QtPISA, where the output is prettier than at the EBI :)
Eugene
On 6 Jan 2013, at 12:42, Eleanor Dodson wrote:
> pisa at the ebi will do this very nicely.
>
> Upload your pdb files.
>
> PISA is part of the CCP4 distribution too, but the EBI output is prettier
> Eleanor
>
> On 4 Jan 2013, at 22:11, Brad Bennett wrote:
>
>> Hi all-
>> I have 2 PDB files of the same protein (in slightly different states) and I want to output a table of interactions (preferably hydrogen bonds, salt bridges) that are unique to a structure i.e. Ser22 OG forms a hydrogen bond to Lys25 NZ in structure 1 but not in structure 2. In other words, I'd like to generate a difference set of contacts. Is there a way I can run NCONT or CONTACT or other software (or nifty scripting) to do this?
>>
>> Thanks and have a nice weekend-
>> Brad
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