Atomic coordinate file: Difference between revisions
From Proteopedia
Jump to navigationJump to search
Eric Martz (talk | contribs) →Bonds: Connectivity: adding content |
Eric Martz (talk | contribs) polishing |
||
| Line 37: | Line 37: | ||
==Bonds: Connectivity== | ==Bonds: Connectivity== | ||
Typically, atomic coordinate files do not specify covalent bonds between atoms. Molecular modeling or visualization software determines the positions of covalent bonds using simple rules. Typically, any two non-hydrogen atoms within 1.9 Ångstroms of each other are deemed to be covalently bonded. (The distance for a bond involving a hydrogen atom is less.) The [http://www.wwpdb.org/ | Typically, atomic coordinate files do not specify covalent bonds between atoms. Molecular modeling or visualization software determines the positions of covalent bonds using simple rules. Typically, any two non-hydrogen atoms within 1.9 Ångstroms of each other are deemed to be covalently bonded. (The distance for a bond involving a hydrogen atom is less.) The [http://www.wwpdb.org/docs.html PDB data format] requires that covalent bonds be specified between atoms that are not members of [[Standard Residues]] in protein or nucleic acid chains. These are specified in CONECT records. | ||
==See Also== | ==See Also== | ||
*[[Protein Data Bank]] | *[[Protein Data Bank]] | ||
*[[Standard Residues]] | |||
*[[Non-Standard Residues]] | |||
*[[Hetero atoms]] | *[[Hetero atoms]] | ||
*[[Ligand]] | *[[Ligand]] | ||