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Re: [modeller_usage] structure not read in



Nicolas Fusseder wrote:
I have an application which models protein sequences based on template
structures which are found by blasting the query sequence against all
sequences from pdbaa. The entire modeling process works fine, only when
one of the templates structures found via blast was solved with Cryo-EM
the modelling process fails with the following error (sorry for the nasty
formatting):
...
P1;1D3E1
structureE:1D3E:1    :1:285  :1:MOL_ID  1;  MOLECULE  INTERCELLULAR
ADHESION MOLECULE-1; CHAIN I; FRAGMENT:MOL_ID 1; FRAGMENT 1 - 185; ORGANISM_SCIENTIFIC HOMO SAPIENS; ORGANISM_CO:28.00:-1.00
APVAAYVDEVLNEVLVVPNINQSHPTTSNAAPVLDAAETGHTNKIQPEDTIETRYVQSSQTLDEMSVESFLGRSG
CIHESVLDIVDNYNDQSFTKWNINLQEMAQIRRKFEMFTYARFDSEITMVPSVAAKDGHIGHIVMQYMYVPPGAP
IPTTRDDYAWQSGTNASVFWQHGQPFPRFSLPFLSIASAYYMFYDGYDGDTYKSRYGTVVTNDMGTLCSRIVTSE
QLHKVKVVTRIYHKAKHTKAWCPRPPRAVQYSHTHTTNYKLSSEVHNDVAIRPRTNLTTV*

Modeller 8 only recognizes the following alignment types as denoting structures:
structure structureX structureN structureM
Anything else (e.g. structureE) is considered a raw sequence, and no PDB is read in. This has already been corrected for the next Modeller release; as a workaround until then, you can just edit your alignment file to replace structureE with structureX or similar.

	Ben Webb, Modeller Caretaker
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