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<DIV><FONT size=2><FONT face=宋体><FONT size=2><FONT face=宋体>Dear
David,</FONT></FONT>
<DIV><FONT face=宋体 size=2> </FONT></DIV>
<DIV>
<DIV> </DIV>
<DIV><FONT face=宋体>
<DIV><FONT size=1>Best
regards
<BR>Weihua
Li<BR>==========================================<BR> Center for Drug
Discovery & Design <BR> State Key
Laboratory of Drug Research<BR> Shanghai Institute of Materia
Medica<BR> Chinese Academy of Sciences<BR> 294 Taiyuan
Road<BR> Shanghai 200031<BR> People's Republic of
China<BR> E-mail: <A
href="mailto:whli@mail.shcnc.ac.cn">whli@mail.shcnc.ac.cn</A>
<BR> Phone: 86-21-64311833-615/222(Lab)<BR> Fax:
86-21-64318401</FONT></DIV><FONT size=1>
<DIV>============================================= </FONT></FONT></DIV></DIV></DIV>
<DIV> </DIV>
<DIV><FONT face=宋体 size=2>======== 2002-12-0709:28:00 you wrote:
========</FONT></DIV>
<DIV> </DIV>
<DIV><FONT size=2>
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style="BORDER-LEFT: #000000 2px solid; MARGIN-LEFT: 5px; MARGIN-RIGHT: 0px; PADDING-LEFT: 5px; PADDING-RIGHT: 0px">
<DIV>>> Here's a sample:</DIV>
<DIV>>> </DIV>
<DIV>>> 5</DIV>
<DIV>>>
CYS SG 1 CYS SG 1 0.2 CYS2 CYS2</DIV>
<DIV>>> </DIV>
<DIV>>> You want to add</DIV>
<DIV>>>
Cys SG 1 FE FE 4 0.2 CYS1 FE</DIV>
<DIV>>>
What is the meaning of 4?</DIV>
<DIV> </DIV>
<DIV>that the FE can make 4 bonds.</DIV>
<DIV> What about the case in the HEME Fe
and S of Cys? 5,or 2?</DIV>
<DIV> The value is 2 in the specbond.dat file.i don't know
why? As you said,the value shoud be 5.</DIV>
<DIV> </DIV>
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