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chemaxoncalcaccsites

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chemaxoncalcaccsites [2012/10/12 01:13]
rkiss created
chemaxoncalcaccsites [2012/10/14 14:04]
rkiss
Line 5: Line 5:
 ==== 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