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来自「c++编写的并行拉马克遗传算法的程序。实现分析对接程序」· 代码 · 共 22 行

To compile addsol:
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(1) At the Unix prompt, type "cc -o addsol addsol.c"

To run addsol: 
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(2) run "addsol yourfile.pdbq yourfile.pdbqs"
	
addsol appends solvation parameters to the protein pdbq file starting in columns 76, 
addsol has hard-wired parameters which can be changed only by changing addsol.c

NB: The output of this program differs from that of addsol.f in the assignment of 
	parameters to atom of the following types:
		CA
		HE2[2 or 1] GLN
		OXT CYS
	in the first case, the proper value is assigned by the c-code whereas it is not
clear what value should be assigned for OXT.


		-rh, 1/8/98