Coding tips DOCK 3.7

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Adding an INDOCK parameter:

To add an option to the INDOCK file that will be parsed and read into DOCK edit the following files:

Add a declaration of the variable that will contain your parameter to optionstype.f

logical :: dockovalent

Set the default value for your variable in setdef.f

options0%dockovalent = .false.

Parse input value (or keyword value) from INDOCK in dokw.f 

   else if (keywrd .eq. 'dockovalent') then
        call tolow(args)
        if (nf .lt. 1) then
           options0%dockovalent = .false. !off by default
        else if (args(1:1) .eq. 'y') then
           options0%dockovalent = .true.
        else
           options0%dockovalent = .false.
       endif

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