Table | Description |
Mathematical types | Mathematical types used by Library.
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Mathematical constants | Mathematical constants used by Library.
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Coordinate-relating types | Data types relating to coordinate context.
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Type | Definition "double float on" |
Definition "double float off" |
Description |
pstr | char * | char * | pointer on character, or string of characters |
byte | unsigned char | unsigned char | byte |
byteptr | byte * | byte * | pointer on byte, or string of bytes |
shortint | signed char | signed char | 8-bit integer |
Boolean | unsigned char | unsigned char | logical variable ('True' or 'False') |
word | unsigned int | unsigned int | 32-bit word |
realtype | double (64-bit) | float (32-bit) | real variable |
rvector | double * | float * | vector of real numbers |
ivector | int * | int * | vector of integer numbers |
wvector | word * | word * | vector of words |
bvector | byte * | byte * | vector of bytes or logical numbers |
lvector | long * | long * | vector of long integers |
psvector | pstr * | pstr * | vector of character strings |
rmatrix | rvector * | rvector * | matrix of real numbers |
imatrix | ivector * | ivector * | matrix of integer numbers |
wmatrix | wvector * | wvector * | matrix of words |
bmatrix | bvector * | bvector * | matrix of bytes or logical numbers |
lmatrix | lvector * | lvector * | matrix of long integers |
psmatrix | psvector * | psvector * | matrix of character strings |
rmatrix3 | rmatrix * | rmatrix * | 3D matrix of real numbers |
imatrix3 | imatrix * | imatrix * | 3D matrix of integer numbers |
wmatrix3 | wmatrix * | wmatrix * | 3D matrix of words |
bmatrix3 | bmatrix * | bmatrix * | 3D matrix of bytes or logical numbers |
lmatrix3 | lmatrix * | lmatrix * | 3D matrix of long integers |
psmatrix3 | psmatrix * | psmatrix * | 3D matrix of character strings |
Constant | Definition "double float on" |
Definition "double float off" |
Description |
MinReal | 2.2250e-308 | 1.1755e-38 | minimal real number |
MaxReal | 1.7976e+308 | 3.4020e+38 | maximal real number |
True | 1 | 1 | logical "true" |
False | 0 | 0 | logical "false" |
MinInt | -32768 | -32768 | minimal 16-bit integer number |
MaxInt | 32767 | 32767 | maximal 16-bit integer number |
MaxWord | 65535 | 65535 | maximal 16-bit word |
MinInt4 | -2147483647 | -2147483647 | minimal 32-bit integer number |
MaxInt4 | 2147483647 | 2147483647 | maximal 32-bit integer number |
MaxWord4 | 4294967295 | 4294967295 | maximal 32-bit word |
Pi | 3.141592653589793238462643 | 3.141592653589793238462643 | Arkhimed's "Pi" |
Eu | 2.718281828459045235360287 | 2.718281828459045235360287 | Euler's "e" |
ln10 | 2.3025850929940456840179915 | 2.3025850929940456840179915 | logarithm of 10 |
Type | Definition | Description |
ChainID | char[10] | Chain ID (extension of 1-letter PDB chain ID). Chain ID is set to empty string (""), if no chain ID is given in the coordinate file. Only first character (space if chain ID is empty) may be output into PDB file |
PChainID | ChainID * | Pointer on chain ID |
ResName | char[20] | Residue name (extension of 3-letter PDB residue name). A minimum of 1 character must be in the name, leading and padding spaces must not appear. Only 3 first characters (right-justified) may be output into PDB file |
InsCode | char[10] | Insertion code (extension of 1-letter PDB insertion code). Insertion code is set to empty string (""), if no insertion code is given in the coordinate file. Only first character (space if insertion code is empty) may be output into PDB file |
AtomName | char[20] | Atom name (extension of 4-letter PDB atom name). Leading and padding spaces are significant. Only first 4 characters (left-justified, leading spaces do count) may be output into PDB file |
AltLoc | char[20] | Alternate location indicator (extension of 1-letter PDB alternate location indicator). The field is set to empty string (""), if no alternate location indicator is given in the coordinate file. Only first character (space if the field is empty) may be output into PDB file |
Element | char[20] | Chemical element name (extension of 2-letter PDB chemical element name). A minimum of 2 characters must be in the field. All spaces are significant: 1-letter element codes come with leading space (" H" for hydrogen). Only first 2 characters may be output into PDB file |
SegID | char[20] | Segment ID (extension of 4-letter PDB segment ID). Leading and padding spaces are significant. Only first 4 characters (left-justified, leading spaces do count) may be output into PDB file |
AtCharge | char[20] | Charge on atom (extension of 2-letter PDB description of atom charge). All spaces are significant, and only 2 first characters (left-justified, leading spaces do count) may be output into PDB file. |
IDCode | char[12] | Entry code (extension of 4-letter PDB code). A minimum of 4 characters must be in entry code; only first 4 characters may be output into PDB file |
PIDCode | IDCode * | Pointer on entry code |
HelixID | char[20] | Helix ID (extension of 3-letter PDB helix ID). Only up to first 3 characters may be output into PDB file |
StrandID | char[20] | Strand ID (extension of 3-letter PDB strand ID). Only up to first 3 characters may be output into PDB file |
SheetID | char[20] | Sheet ID (extension of 3-letter PDB sheet ID). Only up to first 3 characters may be output into PDB file |
TurnID | char[20] | Turn ID (extension of 3-letter PDB turn ID). Only up to first 3 characters may be output into PDB file |
SymGroup | char[30] | Group of space symmetry (extension of 11-letter PDB space symmetry group name). Only up to first 11 characters may be output into PDB file |
Date | char[12] | Date in format DD-MMM-YYYY. When output into PDB file, the field is converted to DD-MMM-YY; when output into mmCIF file - to YYYY-MM-DD |
RecName | char[7] | Name of PDB record (PDB record keyword) |
DBName | char[10] | Sequence database name |
DBAcCode | char[20] | Sequence database accession code |
DBIdCode | char[20] | Sequence database identification code |
vect3 | realtype[3] | vector of 3 real numbers |
vect4 | realtype[4] | vector of 4 real numbers |
mat33 | vect3[3] | matrix 3x3 of real numbers |
mat44 | vect4[4] | matrix 4x4 of real numbers |
mat633 | mat33[6] | 3D matrix 6x3x3 of real numbers |