You need to learn to be really exacting cut-n-paste when creating a question helps a lot. arms: Position a set of XYZ axes on of screen. Home selected as (options) may not be available is the electricity version of VMD.animate: Play/Pause/Rewind a molecular trajectory. The real problem is that you're not being consistently accurate about what you're really typing that matters hugely in most programming languages, not just Tcl. VMD Text Menu Summary VMD understands commands which start with the following words click on an command for a more complete synopsis.
The TkConsole is actually pretty reasonable as quick-and-dirty terminal emulations go (given that it omits a lot of the complicated cases). The word you give is not one of the standard file subcommands, and none of them accept those arguments anyway, which look suitable for open (though that returns a channel handle suitable for use with commands like gets and read). o is actually a legal command name in Tcl, it's… highly unlikely.Īnd this won't work: set grofile īecause the file command requires a subcommand as a first argument. So you should really do: set grofile "o"ĭon't leave the double quotes out if you have a complicated name.Īlso, this won't work: set grofile īecause is used to indicate running something as a command and using the result of that. (Tcl's general parser does not know that set only takes one or two arguments, by very long standing policy of the language.) That will confuse set as Tcl's general parser will end up giving set more arguments than it expects. I'm guessing that your real filename has spaces in it, and that you've not put double-quotes around it.
You may think you've typed the same thing, but you haven't. I add the head of my script: set grofile "sim.part0001_protein_o" I apologize if it is basic, but I could not find any answer. It seems like you only can use the most trivial, but tedious way: mol load oĬan you help me with a brief explanation about why in the TkConsole I can upload the file and use it as a variable while I can not in the tcl script?Īlso, if you have where is my mistake, I will appreciate it. I haven't found any simple way to avoid using the explicit name of the file I want to upload. To execute Tcl commands, you will be using a convenient text console called. I tried to solve my problem with % set grofile Wrong # args: should be "set varName ?newValue?" The classic Tcl books include documentation on the popular Tk extensions. What I really wanted was a menu item or an icon to bring up a simple UI to accept parameters and run the thing I wanted to do, like in KDE on Linux. In the script I have the same lines, but still have this error: Type a long command with options to start the desired automation I use macOS on a daily basis.
So, what I did in TkConsole was: % set grofile "o"Īnd, indeed, I succeeded uploading the file. My problem is simple: I'm trying to write a tcl script to use $grofile instead writing every time I need this file name.
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