Top-level scripts

These are Tcl scripts that are always run when VMD is started within a Pestifer workflow. They can also be run manually from the VMD console using the pestifer_init Tcl command, provided you have defined that proc in your own VMD startup script (e.g., ~/.vmdrc). See the Use in VMD scripts section of the Usage documentation for more information.

vmdrc.tcl

This is a VMD startup script for pestifer-managed VMD sessions or VMD sessions if initiated with the Tcl command

pestifer_init

This makes sure that the Pestifer Tcl packages are available and that the appropriate atomselect macros are updated from the VMD defaults.

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macros.tcl

Updates atomselect macros to account for residues not in the macros in a base VMD installation. This file is automatically generated by pestifer.core.resourcemanager.update_atomselect_macros(). Do not edit this file directly; changes will be overwritten. Instead, edit pestifer.core.labels and run pestifer modify-package --update-atomselect-macros. The Tcl proc update_atomselect_macro is defined in the PestiferUtil Tcl package.

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