source: src/Parser/PdbKey.hpp@ a0064e

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Last change on this file since a0064e was 16462f, checked in by Frederik Heber <heber@…>, 14 years ago

PdbParser is now complete with respect to additionalAtomData.

  • serial, name, resName, resSeq, element, and charge are updated if changed, otherwise we use values from PdbAtomInfoContainer.
  • PdbParser::saveLine() completely uses information from PdbAtomInfoContainer.

Testchanges:

  • Simple_configuration/2/post/test.pdb updated as we are now closer to real PDB format also concerning alignment and the resName changed again.
  • Property mode set to 100644
File size: 490 bytes
Line 
1/*
2 * PdbKey.hpp
3 *
4 * Created on: Dec 4, 2010
5 * Author: heber
6 */
7
8#ifndef PDBKEY_HPP_
9#define PDBKEY_HPP_
10
11/**
12 * Known keys for the Pdb line.
13 */
14class PdbKey {
15public:
16 enum KnownTokens { Atom, Remark, Connect, Filler, EndOfFile, NoToken };
17
18 enum PdbDataKey {
19 noKey,
20 token,
21 serial,
22 name,
23 altLoc,
24 resName,
25 chainID,
26 resSeq,
27 iCode,
28 X,
29 Y,
30 Z,
31 occupancy,
32 tempFactor,
33 element,
34 charge
35 };
36};
37
38
39#endif /* PDBKEY_HPP_ */
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