ICM Manual v.3.9 by Ruben Abagyan,Eugene Raush and Max Totrov Copyright © 2020, Molsoft LLC Jun 5 2024 Contents   Introduction Reference Guide  ICM options  Editing  Graph.Controls  Alignment Editor  Constants  Subsets  Molecules  Selections  Fingerprints  Regexp  Cgi programming with icm  Xml drugbank example  Tree cluster  Arithmetics  Flow control  MolObjects  Energy Terms  Integers  Reals  Logicals  Strings  Preferences  Tables  Other  Chemical  Smiles  Chemical Functions  MolLogP  MolLogS  MolSynth  Soap  Gui programming  Commands  Functions  Icm shell functions  Macros  Files Command Line User's Guide References Glossary   Index

Prev ICM Language Reference Subsets and Index Expressions Next one can refer to an element or a subset of ten kinds of ICM-shell variables: Variable type Expression Result type Example string string[i] string lastChar=str[Length(str)] string[i1:i2] string resName=pdbStr[18:21] iarray iarray[i] integer CurrSize=sizes[i] iarray[i1:i2] iarray frag=list[4:nitems] iarray[I_] iarray sublist=list[{1,3,5}] rarray rarray[i] real the=same[i] rarray[i1:i2] rarray all=as[for:iarr] rarray[I_] rarray Part=R1[{1,2,3}] sarray sarray[i] string best=menu[ibest] sarray[i1:i2] sarray fish=list[4:8] sarray[I_] sarray some=all[{1,2,3}] matrix matrix[i1,i2] real Element=M[4,5] matrix[i1] rarray atomCaVec=CoordMatr[15] matrix[i1,i2:i3] rarray thirdRow=M[3,1:5] matrix[i1,?] rarray thirdRow=M[3,?] matrix[i1:i2,i3] rarray firstColumn=mm[1:3,1] matrix[?,i3] rarray firstColumn=mm[?,1] matrix[i1:i2,i3:i4] matrix upperSqr=rot[1:2,1:2] sequence sequence[i] string amino4=bpti[4] sequence[i1:i2] sequence domain=seq[139:302] alignment alignment[i] alignment column4=globins[4] alignment[i1,i2] string AminoAcIn2ndSeq=globins[4,2] alignment[i1:i2] alignment motif=EFhand[15:27] profile profile[i] profile His=prof[18:18] profile[i1:i2] profile motif=prf[14:35] selection selection[i] selection ca18=ca[18] selection[i1:i2] selection frag=ca[14:35] table table[i] table show t[3] table[i1:i2] table delete t[3:5] Important note. When both lower and upper limits are explicitly specified, even if they are equal (e.g. list [3:3] ), the type of the subset object remains the same. If only one element is specified, the rank may be reduced. The upper limit may be larger than the actual limit (e.g. t[3:9999]). You may also use 0 instead of the last element number (e.g. t[3:0]). Prev Constants Home Up Next Molecules

Copyright© 1989-2024, Molsoft,LLC - All Rights Reserved. Copyright© 1989-2024, Molsoft,LLC - All Rights Reserved. This document contains proprietary and confidential information of Molsoft, LLC. The content of this document may not be disclosed to third parties, copied or duplicated in any form, in whole or in part, without the prior written permission from Molsoft, LLC.