BALL::PDBFile::Option Struct Reference

#include <BALL/FORMAT/PDBFile.h>

List of all members.

Static Public Attributes
static const char *	VERBOSITY
static const char *	STRICT_LINE_CHECKING
static const char *	CHOOSE_MODEL
static const char *	STORE_SKIPPED_RECORDS
static const char *	IGNORE_XPLOR_PSEUDO_ATOMS
static const char *	PARSE_PARTIAL_CHARGES

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Detailed Description

Symbolic names for option keys. This struct contains a symbolic name for each recognized key in PDBFile::options.

For each symbol the required type is given under parameters.

Definition at line 85 of file PDBFile.h.

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Member Data Documentation

const char* BALL::PDBFile::Option::CHOOSE_MODEL [static]

Choose a model. If a PDB file contains several models, choose the model you want to have read via this option. Default is the first model appearing, denoted by Index 0. If you want to read all models, choose index -1.

See also:

Default::CHOOSE_MODEL

Definition at line 110 of file PDBFile.h.

const char* BALL::PDBFile::Option::IGNORE_XPLOR_PSEUDO_ATOMS [static]

Ignore XPLOR pseudo atoms. If this option is set XPLOR pseudo atoms (recognized by their x/y/z coordinates of 9999.0) will be dropped.

See also:

Default::IGNORE_XPLOR_PSEUDO_ATOMS

Definition at line 124 of file PDBFile.h.

const char* BALL::PDBFile::Option::PARSE_PARTIAL_CHARGES [static]

Parse partial charges in columns 76-80. Some variants of PDB like to store atom partial charges in these columns (according to the standard, these columns contain the element symbol and formal charges).

Definition at line 131 of file PDBFile.h.

const char* BALL::PDBFile::Option::STORE_SKIPPED_RECORDS [static]

Store skipped records in info. If this option is set, all unparsed records will end up in the skipped record list of info.

See also:

Default::STORE_SKIPPED_RECORDS

Definition at line 117 of file PDBFile.h.

const char* BALL::PDBFile::Option::STRICT_LINE_CHECKING [static]

Enable strict line checking. [Not yet implemented] This option turns line checking on or off. Line checking is a very simple test for the correct length of input lines. The default is to keep line checking turned off.

See also:

Default::LINE_CHECKING

Definition at line 101 of file PDBFile.h.

const char* BALL::PDBFile::Option::VERBOSITY [static]

The verbosity level. Use integer values with this option. 0 = terse

99 = tell me everything

See also:

Default::VERBOSITY

Definition at line 93 of file PDBFile.h.