Thank you all. I had forgotten about checking pdb record formats..
Eleanor
It works when you follow the rules!
On 10/04/2011 05:05 PM, Frances C. Bernstein wrote:
> I checked back and the 1992 format decscription did not use
> columns 77 - 80 for ATOM/HETATM records. But the 1996 document
> did use them. I then checked the old Newsletters and the proposed
> use of columns 77 - 80 was discussed in April 1995.
>
> Frances
>
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> On Tue, 4 Oct 2011, Ian Tickle wrote:
>
>>
>>
>> On Tue, Oct 4, 2011 at 4:41 PM, Eleanor Dodson <[log in to unmask]>
>> wrote:
>> OK
>>
>> So the ATOM TYPE has ZN O C S etc in column 77/78 and the +2 etc in
>> 79/80
>>
>> Is there any documentation for this?
>>
>> E
>>
>>
>> Yes, see:
>> ftp://ftp.wwpdb.org/pub/pdb/doc/format_descriptions/Format_v33_A4.pdf
>>
>> Though this has been the format for ATOM/HETATM records ever since I can
>> remember.
>>
>> Cheers
>>
>> -- Ian
>>
>>
>>
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