amber-developers: more comments on sleap

From: David A. Case <>
Date: Thu, 19 Apr 2007 10:10:02 -0700

Some more playing with sleap yields this:

1. solvateOct is not implemented. This is a pretty important command.

2. sleap gave a good message: "solvatoct: command not found!", but after
that, it continued on with the next command. We need to think about some way
to distinguish between interactive and non-interactive environments.

Probably, using stdin should be "interactive", but using "-f" should be
non-interactive. Then, in non-interactive mode, a missing command should be a
fatal error.

This way, if someone just mis-spells a command in interactive mode, they can
fix it, but in a "batch" mode, we want to flag errors, and quit.

Does this make sense? Better suggestions are welcome.

Received on Sun Apr 22 2007 - 06:07:31 PDT
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