From: SourceForge.net <no...@so...> - 2003-12-10 13:59:31
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Feature Requests item #857574, was opened at 2003-12-10 13:59 Message generated for change (Tracker Item Submitted) made by Item Submitter You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=360084&aid=857574&group_id=10084 Category: None Group: None Status: Open Priority: 5 Submitted By: Gemma Holliday (glh29) Assigned to: Nobody/Anonymous (nobody) Summary: H-bonds and transition states Initial Comment: JChemPaint needs the ability to deal with hydrogen bonds and transition states where bonds have a half order (e.g. 0.5 or 1.5). It would also be useful if the bonds were distinguished from one another in some way, for example hydrogen bonds (traditonally a dotted line) might be red and transition state bonds a dotted black line. ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=360084&aid=857574&group_id=10084 |
From: SourceForge.net <no...@so...> - 2003-12-15 15:23:32
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Feature Requests item #857574, was opened at 2003-12-10 13:59 Message generated for change (Comment added) made by petermr You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=360084&aid=857574&group_id=10084 Category: None Group: None Status: Open Priority: 5 Submitted By: Gemma Holliday (glh29) Assigned to: Nobody/Anonymous (nobody) Summary: H-bonds and transition states Initial Comment: JChemPaint needs the ability to deal with hydrogen bonds and transition states where bonds have a half order (e.g. 0.5 or 1.5). It would also be useful if the bonds were distinguished from one another in some way, for example hydrogen bonds (traditonally a dotted line) might be red and transition state bonds a dotted black line. ---------------------------------------------------------------------- Comment By: Peter Murray-Rust (petermr) Date: 2003-12-15 15:23 Message: Logged In: YES user_id=125666 Gemma and I have discussed this and I plan to support this in CML (current thinking are bond orders of p01 (partial bond, 0-1), p12, p23. ) This avoids the apparent precision of 0.5. P. ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=360084&aid=857574&group_id=10084 |
From: SourceForge.net <no...@so...> - 2003-12-16 08:21:07
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Feature Requests item #857574, was opened at 2003-12-10 05:59 Message generated for change (Comment added) made by nobody You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=360084&aid=857574&group_id=10084 Category: None Group: None Status: Open Priority: 5 Submitted By: Gemma Holliday (glh29) Assigned to: Nobody/Anonymous (nobody) Summary: H-bonds and transition states Initial Comment: JChemPaint needs the ability to deal with hydrogen bonds and transition states where bonds have a half order (e.g. 0.5 or 1.5). It would also be useful if the bonds were distinguished from one another in some way, for example hydrogen bonds (traditonally a dotted line) might be red and transition state bonds a dotted black line. ---------------------------------------------------------------------- Comment By: Nobody/Anonymous (nobody) Date: 2003-12-16 00:21 Message: Logged In: NO Gemma and I have discussed this and I plan to support this in CML (current thinking are bond orders of p01 (partial bond, 0-1), p12, p23. ) This avoids the apparent precision of 0.5. P. ---------------------------------------------------------------------- Comment By: Peter Murray-Rust (petermr) Date: 2003-12-15 07:23 Message: Logged In: YES user_id=125666 Gemma and I have discussed this and I plan to support this in CML (current thinking are bond orders of p01 (partial bond, 0-1), p12, p23. ) This avoids the apparent precision of 0.5. P. ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=360084&aid=857574&group_id=10084 |