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→Example: a typical problem and its solution with mmdb
(Added working link to mmdb documentation as provided by Gerard Kleywegt on ccp4-dev.) |
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Link your application with ... | Link your application with ... | ||
== | == Examples for atom selections == | ||
What is the mmdb string for all atoms in the A conformation of residue 30 in the B chain? Answer: "//B/30/*:A" | What is the mmdb string for all atoms in the A conformation of residue 30 in the B chain? Answer: "//B/30/*:A" | ||
The general syntax is: | |||
/mdl/chn/seq(res).ic/atm[elm]:aloc | |||
e.g. "/1/A/12-130/CA" selects the CAs of residues A12-A130 | |||
or | |||
e.g. "//*/1-10" for residues 1-10 in all chains | |||
== Documentation == | == Documentation == | ||
* http://www.ebi.ac.uk/~keb/cldoc/ and http://msd.ebi.ac.uk/~keb/cldoc/ are both broken. | * http://www.ebi.ac.uk/~keb/cldoc/ and http://msd.ebi.ac.uk/~keb/cldoc/ are both broken. | ||
* [http://www.ebi.ac.uk/pdbe/docs/cldoc/ CCP4 Coordinate Library Project] at the European Bioinformatics Institute | * [http://www.ebi.ac.uk/pdbe/docs/cldoc/ CCP4 Coordinate Library Project] at the European Bioinformatics Institute | ||