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- ...<reference><string>Reference</string></reference>// reference to where the aggregator was published ...<reference><string>Reference</string></reference>// reference to where the aggregator was published8 KB (915 words) - 22:26, 3 January 2019
- I don't have a reference for the dataset being inappropriate for the methods out there, that require ...and some way too polar, like the dyes). Further reinforcing this point is reference 2, where they show that commercial tools are better (relatively) for neutra1 KB (164 words) - 21:51, 19 August 2019
- To run [[SEA]] we need, for both the query and the reference, three files with the same basename and different extensions: ...and IDs is a semicolon. Make sure it has the same characteristics than the reference by running the following command:950 bytes (148 words) - 06:46, 13 March 2014
- ...f our small molecules use ChEBI as a reference although we do occasionally reference COMPOUND, PubChem.1 KB (175 words) - 14:11, 6 September 2016
- ...emoval. A root-mean-squared distance (RMSD) between each candidate and the reference configuration is computed. ...n which survives the first pass of removal is then set aside and used as a reference configuration for the second round of pruning, and so on.2 KB (275 words) - 20:31, 8 October 2012
- say so. give literature reference (justification) say so. give literature reference (justification)3 KB (442 words) - 22:35, 3 January 2019
- you can load any .smi files tab delimeted, with reference string in the second field counting from one 4. '''if a "Connecting Fields" window appears, in the third column for REFERENCE row select FIELD_0'''1 KB (158 words) - 18:05, 15 February 2014
- ...sion introduces the SPIDER image processing software and applies it to the reference specimen Tobacco Mosaic Virus. ...be desirable. As a result of the course you will be able to reconstruct a reference data set of Tobacco Mosaic Virus. Because of the diversity of distinct samp1 KB (173 words) - 20:17, 8 October 2012
- ...he standard pair-wise RMSD calculation between the non-hydrogen atoms of a reference conformation ''a'' and a pose conformation ''b'' for a ligand with ''N'' to ...", then there is an inconsistency in the number of heavy atoms between the reference and the docked conformer.4 KB (576 words) - 23:28, 23 March 2016
- ...that comes up there is a lot of information about differences between the reference structure and the other structures that is presented in table form. Click o ...ds in '''1f0r''', '''1xka''' and '''1ksn'''. Find waters 12 and 170 in the reference structure ('''1f0r''') through the protein explorer (expand the ‘water-tr3 KB (561 words) - 09:56, 13 March 2014
- ...significant or not, AUC/logAUC of the new developed method(s) against the reference method can be compared with bootstrap. == Plot the change(s) in AUC/logAUC against reference score ==4 KB (494 words) - 01:18, 26 March 2020
- # jji. July 2012 - read list of ZINC ids from stdin, output mol2 files, reference pH, as mol2361 bytes (57 words) - 13:38, 1 May 2014
- ...for a substructure in your DOCK output poses and calculate distances to a reference point. This is what filter.py (courtesy from Nir) can do for you. <br> 2. Define an atom within that substructure to calculate distance from a reference point (variable attack_site); the first atom in your smiles or smarts is 0,3 KB (496 words) - 16:12, 14 February 2014
- ...ult contains the specified columns in the output. If the column is in the reference-table, it is specified without a table specfification, otherwise, the colum912 bytes (120 words) - 01:21, 24 May 2024
- ...-server-postfix/#Error-1_SASL_authentication_failure_No_worthy_mechs_found Reference Tutorial]''' # If it works you're done. If it doesn't check the reference tutorial for troubleshooting.2 KB (354 words) - 22:43, 1 September 2022
- ...hp/filter.py: filter.py]: How to calculate atom distances of DOCK poses to reference coordinates. Useful to analyze docking results.1 KB (181 words) - 19:59, 17 March 2014
- * install reference data785 bytes (106 words) - 22:35, 1 July 2019
- It is possible to request a range of slots and then reference the number allocated during execution. Simply provide a range for the numbe1,021 bytes (174 words) - 21:37, 27 February 2014
- #ref - only the reference protonation #mid - reference plus middle protonation [default]5 KB (902 words) - 06:06, 9 May 2024
- ...will be useful, but you must use it at your own risk. To cite ZINC, please reference:1 KB (178 words) - 19:35, 7 August 2022