WPDB Database Loader

Analyze 3D structure of biological macromolecules fast and easy.
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WPDB Database Loader Ranking & Summary

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  • Rating:
  • License:
  • Freeware
  • Publisher Name:
  • Ilya Shindyalov & Phil Bourne
  • Operating Systems:
  • Windows All
  • File Size:
  • 255 KB

WPDB Database Loader Tags


WPDB Database Loader Description

WPDB Database Loader is a handy, easy to use tool specially designed to help you interrogate the 3-dimensional structure of biological macromolecules as found in the Protein Data Bank (PDB) using query and display tools like those shown above. Main features: Scientific: Find structures based on text and sequences searches (mismatches allowed). Sequence alignment of one register sequence against multiple target sequences according to the method of Needleman and Wunsch (JMB 48(3): 443-453, 1970). Structure superposition using Calpha positions according to the method of Hendrickson (Acta CrystA35:158-163, 1979 . Secondary structure assignments according to the method of Kabsch and Sander. Amino acid property profile analysis, both static and dynamic: static according to the values compiled by Bogardt et al.; dynamic, mean exposure according to Lee and Richards (JMB 55:379-400, 1971) and experimental B factorsProfiles for a single polypeptide chain or difference profiles for two aligned polypeptide chains may be examined. Contact map analysis at different cut-off distances and with different atom groups in contactSingle structures or superimposed structures (difference contact maps) can be examined. Typical 3-D viewing and rendering, including options to display or highlight substructures, CPK representation, stereo, and simple surfaces (colored based on distance from user). Geometry calculation (bond lengths, bond angles, dihedral angles, close non-bonded contacts) including graphical representation and deviations from small molecule distances. Computing: Data compression -- about a 20-fold reduction in storage over the PDB ASCII file distribution, but with: (i) bibliographic information limited to AUTHOR and JRNL records; (ii) optionally the first or all members of an ensemble of NMR or model structures included; (iii) only the first alternative conformation as defined in the PDB file for parts of a crystal structure with partial occupancies; (iv) atomic coordinates rounded to 2 and not 3 decimal places; (v) no PDB REMARK records. Interoperable display objects -- when a feature is selected in one display object (e.ga contact map), all other visible display objects (e.g3-D viewer) and those invoked subsequently, are also updated to illustrate that feature. Direct access to Raswin the popular molecular display program. Synchronized printed documentation and context sensitive help created using the DocToHelp package.


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