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First of all: Thanks for all your suggestions. REFMAC5 does the job with
0 cycles of idealisation (although I still did not find out how to keep
REFMAC5 from generating postscipt files of unknown ligands except by
providing the appropriate library. Neither MAKE CHECK NONE nor MAKE
NEWLIGAND NOEXIT work ...).
To clarify what I was looking for: A(n) (elegant?) way to tidy up
pdb-files which have been or which are to be deposited to a local
database and often have a different history. Since a lot of them use
residue names found in the monomer library I was looking for a tool
reading the library and assigning element symbols according to it. I did
not think of REFMAC5 (silly billy).
Cheers,
Dirk
Dirk Reinert wrote:
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Hi,
I am looking desperately for a program that can generate proper chemical element symbols
(column 77-78) for nucleotides etc. (i.e. those with funny atom names like AC2*). MOST
WANTED: A program like pdbset or pdbcur which reads a pdb and writes the processed pdb
and in addition "knows" all monomers in the monomer library.
Thanks a lot for your help,
Dirk
--
Dirk Reinert
Alter Postplatz 19
88400 Biberach
Tel. : 07351-373075
E-Mail: [EMAIL PROTECTED]
