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Date: Mon, 17 Apr 2000 14:50:17 +0200
From: Markus Boehm <Markus.Boehm@Mailer.Uni-Marburg.DE>
Organization: University of Marburg
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To: Giulio Vistoli <giulio.vistoli@unimi.it>, chemistry@ccl.net
Subject: Re: CCL:External Fields in COMFA
References: <014001bfa852$39ca3100$204f959f@farma.unimi.it.farma.unimi.it>
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> I want to import an external home made field in Sybyl spreadsheet to perform
> a COMFA analysis. My field is calculated using a preexisting region (.rgn
> file) storing all values in a formatted ASCII file (.fld). I convert this
> file into binary .efu file and I add it to spreadsheet with MSS ->
> AutoFill -> COMFA as external field. I make this procedure for each
> compound, but the shown cell value is always zero.
> Is there any mistake in my procedure ?

The best way to import external fields under Sybyl is via
QSAR COMFA FIELD IMPORT (see Tripos Bookshelf)
Therefore you need a specially formatted ASCII file (acnt file) which
is converted into a field file. After that you can import these files with
QSAR TABLE ENTER CELL ... and
QSAR TABLE EVALUATE NEW_ONLY
It is normal if the cells values show always zero. Only internal
CoMFA fields have values not equal zero.

Markus Boehm