IGMPlot 3.16
Optimized IGMplot version able to use wfn/wfx/xyz files
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vmdKeywords.h File Reference

Definition of VMD Keywords. More...

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Go to the source code of this file.

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

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