chemaxoncalcpsa
Differences
This shows you the differences between two versions of the page.
| Last revisionBoth sides next revision | |||
| chemaxoncalcpsa [2012/10/11 23:10] – created rkiss | chemaxoncalcpsa [2012/10/14 12:00] – rkiss | ||
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| 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 09:15 by rkiss