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chemaxoncalcpsa [2012/10/12 01:10]
rkiss created
chemaxoncalcpsa [2012/10/14 14:00]
rkiss
Line 5: Line 5:
 ==== Options ==== ==== Options ====
  
 +== pH ==
  
-pH 
 Calculates polar surface area for the major microspecies at the given pH (blank: input protonation state) Calculates polar surface area for the major microspecies at the given pH (blank: input protonation state)
  
-Exclude sulfur+== Exclude sulfur ​== 
 Excludes sulfur atoms from calculation Excludes sulfur atoms from calculation
  
-Exclude phosphor+== Exclude phosphor ​== 
 Excludes phosphorus atoms from calculation Excludes phosphorus atoms from calculation
chemaxoncalcpsa.txt · Last modified: 2012/10/15 11:15 by rkiss