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interesting pdb stuff - summary!!
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Thanks a lot for the responses. I thought I should start the practise of
summarising (like in the other BB's) all the responses I get. Since several
people write mails directly (which is perfectly fine - especially when long
lost aquaintances write to you only on such occasions).
How can we help pdb with a script that will convert the deposited mtz
files to ASCII so that they can release it immediately.
1. I should submit ASCII myself after running mtz2various/mtzdump
-best idea. But what happens to the ones that I have already
deposited and pdb allows submission of mtz files anyway?
2. PDB must have CCP4 already (since Prof. Sussmans' lab uses it).
3. USE SFTOOLS or SNDMDF from the BIOMOL package (does pdb have them and
can they be automated).
mtz2various - has a problem as it needs the correct labels (and we
crystallographers believe in freedom and use whatever we want).
mtzdump is perfectly automatable but requires the ccp4 library
Bart Hazes says he offered to change SFTOOLS but PDB showed no interest!
I do not know about BIOMOL.
Thanks to all and hope the practise of putting summaries continues (and maybe
CCP4 can have an question and answer site of those).