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chemaxoncalcaccsites [2012/10/12 01:13]
rkiss created
chemaxoncalcaccsites [2012/10/15 11:17]
rkiss
Line 1: Line 1:
 ====== ChemAxon H-bond acceptor sites calculator ====== ====== ChemAxon H-bond acceptor sites calculator ======
 +
 +{{:​acc_sites.png?​800|}}
  
 Number of hydrogen bond acceptor sites Number of hydrogen bond acceptor sites
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 ==== Options ==== ==== Options ====
  
 +== pH ==
  
-pH 
 Calculates the number of hydrogen bond acceptor sites of the major microspecies at the given pH (blank: input protonation state) Calculates the number of hydrogen bond acceptor sites of the major microspecies at the given pH (blank: input protonation state)
  
-Exclude sulphur atom from acceptors+== Exclude sulphur atom from acceptors ​== 
 Calculates the number of hydrogen bond acceptor sites by excluding sulphur atoms Calculates the number of hydrogen bond acceptor sites by excluding sulphur atoms
  
-Exclude halogens from acceptors+== Exclude halogens from acceptors ​== 
 Calculates the number of hydrogen bond acceptor sites by excluding halogens Calculates the number of hydrogen bond acceptor sites by excluding halogens
chemaxoncalcaccsites.txt · Last modified: 2012/10/15 11:17 by rkiss