charmm-mode.el --- Major mode for editing Charmm scripts with emacs
Includes color highlighting and other extras

Comments, suggestions:

Juan Roberto Perilla (jrperillaj _at_ jhu.edu)
Oliver Beckstein (orbeckst _at_ jhmi.edu)


the script can be downloaded from:

Charmm-mode ===> http://gonzo.med.jhmi.edu/download/charmm-mode.el


;; ------------------------------------------------------------
;; INSTALL
;; ------------------------------------------------------------
;; (1) Either copy this file into your site-lisp preferred directory,
;; then add the following lines to you .emacs file:
;;
;;;; (autoload 'charmm-mode "charmm-mode" "Charmm input files" t)
;;;; (setq auto-mode-alist (cons '("\\.inp\\'\\|\\.str\\'\\|\\.charmm\\'" . charmm-mode) auto-mode-alist))
;;
;; (2) or put it somewhere else, eg save it as '~/.emacs.d/charmm-mode.el'. Then use in .emacs:
;;
;;;; (autoload 'charmm-mode "~/.emacs.d/charmm-mode.el" "Charmm input files" t)
;;;; (setq auto-mode-alist (cons '("\\.inp\\'\\|\\.str\\'\\|\\.charmm\\'" . charmm-mode) auto-mode-alist))
;;
;;

Questions suggestions can be sent directly to the authors.
Happy scripting !

Very nice!
Thank you!

Hi,

I took a slightly different route in making an emacs mode. The parser is a little more generic, so it may have some issues, but it seems to work for my purposes. It also does some basic indentation. Here are the comments:

Code:

---

;; NOTES:
;;  - Indentation:
;;     This does some very basic indentation. Follow these rules:
;;     1. If blocks that are contained entirely on one line must 
;;        not use the word "then". e.g.:
;;
;;          if something .gt. somethingelse goto somelabel
;;
;;     2. If blocks that span multiple lines must contain the word 
;;        "then" on the first line. e.g.:
;;
;;          if ?NUMNODE .gt. 1 then ! These things cannot be run in parallel
;;              echo "This cannot be run in parallel!"
;;              stop
;;          endif
;;
;;     3. Labels that control loops must begin with the word "loop". e.g.:
;;
;;          label looptraj
;;              various loopy things
;;          if something .lt. somethingelse goto looptraj
;;
;;     4. You can indent a block by beginning it with a label that
;;        starts with the word "start" and ending it with a label
;;        that starts with the word "end". e.g.:
;;
;;          label startsetup
;;              do lots of setup calculations
;;              that only need to be run once
;;              even though you may want to run
;;              this script several times
;;              label startminimization
;;                  generate a minimized structure
;;                  and save it for later, etc.
;;              label endminimization
;;          label endsetup

---

Maybe we should combine our work somehow?

Our codes had been merged, the new version of charmm-mode.el can be downloaded from the original
link. Thanks a lot Michael for your help.

Sounds great; now if only someone would do the same for the 'vim' color schemes ...

the original server has been down for quite some time, so I have uploaded the script to:

CHARMM-mode for emacs

- Juan R. Perilla