Volume 2 Chapter 10 Search Menu SAVE FBIB

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SAVE FCON

Function

SAVE FCON is used to specify that, for all kept hits, an FCON file is saved.

Basic QUEST Procedure

The equivalent control command in Basic QUEST is discussed under SAVE.

Remarks

FCON is the chemical connectivity file used in Versions 1 and 2 of the CSDS.

It has been retained as an output option since some users have written software to process it.

It should be remembered that if the number of accepted hits is large then sufficient disk space must be available to accommodate the saved output file.

Graphics QUEST3D Procedure

Ex.

An FCON file will be saved for all kept hits.

Sample FCON entries are shown below:

CONN    AACMAL     2  13  11   0   0770912
   1.000  -1   8   1.000   1   5
AL 4049 O  2050 C  1350 C  1350 C  1350 C  3050 O  1050 C  1350 N  4051 C  1350
C  1350 C  1350 C  1350
51001002  51001003  51001004  51001005  51002006  52006007  51006008  51009010
51009011  51009012  51009013
CONN    ALMEAL     1  12  12   0   0810707
   1.000   0  12
AL 4050 O  3050 O  2050 C  1350 C  1350 AL 4050 N  2050 N  3050 C  1350 C  1350
C  1350 C  1350
49001002  49001003  51001004  51001005  51002006  49002007  49003008  51006009
51006010  51006011  48007008  51008012

Notes

(a)
If you change your mind you can toggle off the SAVE selection.

(b)
Related Command

INFO

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Volume 2 Chapter 10 Search Menu SAVE FDAT.