VMD User's Guide

FunctionDescriptionsqr(x) square of xsqrt(x) square root of xabs(x) absolute value of xfloor(x) largest integer not greater than xceil(x) smallest integer not less than xsin(x) sine of xcos(x) cosine of xtan(x) tangent of xatan(x) arctangent of xasin(x) arcsin of xacos(x) arccos of xsinh(x) hyperbolic sine of xcosh(x) hyperbolic cosine of xtanh(x) hyperbolic tangent of xexp(x) “e to the power x”log(x) natural log of xlog10(x) logbase10ofxFunction Arg DescriptionTable 5.7: Atom selection functions.volN float value of the voxel of the volumetric data of ID Nnearest to the atominterpvolN float interpolated value of the voxels of the volumetricdata of ID N around the atomTable 5.8: Read-only atom selection keywords which may be used to query the values of an underlyingvolumetric map in the same molecule. The value of N, which can be 0 to 7 inclusively, refersto the volID of the underlying volumetric data (e.g., youcouldtypeinterpvol2).Read-only atom selection keywords for querying volumetric dataSymbol Example Definition. . , A.C match any character[] [ABCabc] , [A-Ca-c] match any char in the list[~] [~Z] , [~XYZ] , [^x-z] match all except the chars in the list^ ^C , ^A.* next token must be the first part of string$ [CO]G$ prev token must be the last part of string* C* , [ab]* match 0 or more copies of prev char orregular expression token+ C+ , [ab]+ match 1 or more copies of the prev token\| C\|O match either the 1st token or the 2nd\(\) \(CA\)+ combines multiple tokens into oneTable 5.9: Regular expression methods.79