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=Job Submission= {| class="wikitable" border="1" style="margin: 1em 1em 1em 1em;" width="650px" |- | [[File:PatternQuery-Service1.png| 650px]] | [[File:PatternQuery-Service2.png| 650px]] |- | The UI of the '''PatternQuery Service''' job submission page allows user to submit a new query calculation. First time user can take a look at some of the example queries. If you have run any calculations with '''PatternQuery''' already, you can browse the results. | At first, you can encode a pattern of you choice into a query. If you are unsure on how to compose a query, try one of the provided examples. You can also take a look into our [[PatternQuery:How_to_build_a_query | case studies]] or consult the [[PatternQuery:Language_Reference | language reference]]. In case none of these help, ask us a question via '''Support''' tab. We will be happy to answer you in the shortest possible time. Do '''not forget''' to click '''Add+''' after you finish composing query. Multiple queries can be specified at time. |- | [[File:PatternQuery-Service3.png| 650px]] | [[File:PatternQuery-Service4.png| 650px]] |- | Decide whether you would like to query the entire Protein Data Bank, a subset thereof based on a variety of different properties, or a user provided list of PDB entries of interest. | You can query Protein Data Bank based on numerous metadata. At first select a property you would like to filter by, then select a comparison method and finally fill in the demanded value. Please carefully read the hints and examples below each selected property. Different properties can have different means of providing input values. Note that you can also include logical expressions. For example: '''!S & N''' in ''Atom'' property means that just structures containing a nitrogen atom and none sulfur atoms will be considered. Multiple filters can be applied at the same time. |- | [[File:PatternQuery-Service5.png| 650px]] |- | As soon as you specify a query or queries and the data set, you can tick an option to validate all the ligands and non-standard residues for their structure integrity using [[ValidatorDB:UserManual | Validator<sup>DB</sup>]] and, finally, submit the calculation. Based on the number of processed structures, the execution time, in most cases, can be in the range of minutes (thousands of structures) to an hour (whole Protein Data Bank). Bookmark the newly generated web address as the results will be available here once the calculation finishes. Optionally you can provide an e-mail address and we will contact you directly once your calculation is done. |} <br style="clear:both" /> '''Please continue reading to the [[PatternQuery:Specifics Page | Specifics page]], where you can find additional info on downloading and inspecting your results.
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