IGMPlot: src/include/vmdKeywords.h File Reference

IGMPlot 3.16 Optimized IGMplot version able to use wfn/wfx/xyz files

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Typedefs | Enumerations
vmdKeywords.h File Reference

Definition of VMD Keywords. More...

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## Typedefs
typedef enum KEYWORD_INDEXES | keywords_t
| The VMD script's intern keywords indexes.

## Enumerations
enum | KEYWORD_INDEXES { DGINTER , DGINTRA , DENS , RDG , PERCENT , COMPLEX , CUTPLOT1 , CUTPLOT2 , CUTPLOTIGM1 , CUTPLOTIGM2 , CUTPLOTIGM3 , CUTPLOTIGM4 , VMDCOLRANGIGM1 , VMDCOLRANGIGM2 , CUTOFFS1 , CUTOFFS2 , FRAG1Def , FRAG2Def , MAX_PERCENT , ATOMDOIDAT , XYZ , DGATWEAKMAX , ELFcube , ELF_IGMcolor , ELF_isovalue , SELFcube , SELFATOMDAT , SELFMAX , SELFMIN , DGSCALEDMAX , isSELFAtomic , SELFMAXCOLOR , SIZE_KEYWORDS }
| The VMD script's intern keywords indexes. More...

## Detailed Description

Definition of VMD Keywords.

## Enumeration Type Documentation

## ◆ KEYWORD_INDEXES

enum KEYWORD_INDEXES

The VMD script's intern keywords indexes.

Enumerator
DGINTER | Path to Delta G inter cube file
DGINTRA | Path to Delta G intra cube file
DENS | Path to rho cube file
RDG | Path to RDG cube file
PERCENT | Path to percent data file
COMPLEX | Path to the complex file created
CUTPLOT1 | cutplot[0] value
CUTPLOT2 | cutplot[1] value
CUTPLOTIGM1 | cutplotIGM[0] value
CUTPLOTIGM2 | cutplotIGM[1] value
CUTPLOTIGM3 | TO DOCUMENT
CUTPLOTIGM4 | TO DOCUMENT
VMDCOLRANGIGM1 | vmdcolrangIGM[0] value
VMDCOLRANGIGM2 | vmdcolrangIGM[1] value
CUTOFFS1 | cutoffs[0] value
CUTOFFS2 | cutoffs[1] value
FRAG1Def | fragment 1 definition
FRAG2Def | fragment 2 definition
MAX_PERCENT | Maximum percentage found
ATOMDOIDAT | Path to AtomDOI.dat file
XYZ | Path to .xyz file
DGATWEAKMAX | maximum value of atomic contrib to wean non-covalent contacts
ELFcube | Path to ELF cube file
ELF_IGMcolor | Path to ELF_IGMcolor cube file
ELF_isovalue | isovalue used to build ELF isosurfaces with VMD
SELFATOMDAT | name of the file providing atomic contrib. to SELF
SELFMAX | maximum value of the pauli repulsion detected by SELF methodology
SELFMIN | minimum value of the pauli repulsion detected by SELF methodology
DGSCALEDMAX | maximum value of the dg/rho cube
isSELFAtomic | to properly write the self.vmd file