Subject: Autodock3 / mol2topdbq : error

From: Antoine FORTUNE <[email-masked]>
Date: Wed, 30 May 2001 19:38:31 +0200

Hi All,

Trying to convert a macro.mol2 file to macro.pdbqs file with mol2topdbqs
script, i always get that error message :

awk: cmd. line:77: fatal: expression for `<' redirection has null string
value

It comes from mol2fftopdbq script.  I used sybyl to prepare the
macro.mol2 file, deleting all unknown atoms, water and ions (Cl-) and
adding "Essential_only" hydrogens and assigning "KOLL UNI" partial
charges.

Thank's for any help,
Antoine

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Antoine FORTUNE

Ingenieur Modelisation Moleculaire
Dept. Pharmacologie Moleculaire - UMR 5063
Universite Joseph Fourier

Faculte de Pharmacie
38706 LA TRONCHE  - FRANCE

Tel: 04 76 63 71 40   Fax: 04 76 51 86 67
e-mail: [email-masked]
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