[Dock-fans] Re:AMSOL's input

Gaokeng Xiao gkxiao at people.com.cn
Thu Apr 28 05:25:35 PDT 2005


Thank you, John,
   I test the AMSOL scripts included in the following paper:  
Wei BQ, Baase WA, Weaver LH, Matthews BW, Shoichet BK. A model binding site
for testing scoring functions in molecular docking. J Mol Biol. 2002 Sep 13;
322(2):339-55.
   But the scripts cannot work for the AMSOL7.1!!! Z-matrix coordinate is required for AMSOL7.1.
   The scripts cannot prepare Z-matrix style input. Maybe AMSOL6.5.3 is required.
   
  

 
				 
¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡Gaokeng Xiao
¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡gkxiao at people.com.cn
¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡2005-04-28




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