Re: CCL:External Fields in COMFA

[Markus Boehm <Markus.Boehm-: at :-Mailer.Uni-Marburg.DE>]

> 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