Editing MotiveValidator (section)

=Input file requirements=
Before you move on, please consult the [[MotiveValidator:Terminology | Terminology]] used within the '''MotiveValidator'''.

'''MotiveValidator''' is meant for residue based validations against LigandExpo models, and thus accepts input files in PDB format<ref name="pdb"/>. The PDB format is necessary due to the fact that it contains residue information (the 3-letter code residue name and residue identifier). However, especially in the case of more unusual residues or user defined motifs, it is many times useful to also submit your structures in SD/SDF/MOL format along with the PDB format. This is to insure that '''MotiveValidator''' identifies inter-atomic bonds correctly. Additionally, since the representation of large biomacromolecules and their complexes is moving towards a more general format, '''MotiveValidator''' also allows to upload the structure to be validated in PDBx/mmCIF format.

The PDB file format is well established. The following fields must appear correctly in your input PDB files: atom index, atom name, element symbol, residue name, residue index, 3D coordinates. Alternate locations of atoms are ignored. If '''MotiveValidator''' finds any issues in the input files, it will report them as warnings or processing errors TODO link na detaily.

The input files may be uploaded from your computer, or retrieved from the corresponding databases. The  model  may  be  retrieved  from  LigandExpo  by  specifying  its  3-letter  identifier according to the PDB residue naming convention. Similarly, the  biomolecule may be retrieved from the Protein Data Bank by specifying its 4-letter PDB ID. Capitalization is not important, so 1tqn, 1TQN and 1Tqn will retrieve the same structure. Notice that we keep mirrors of LigandExpo and the Protein Data Bank on our server, so that file retrieval is as speedy as possible. The date the database mirrors were last updated is always displayed at the bottom of the submission page.