Rms margin adjustmentDone
Hi i would love to have the ability to change the Rms margin of the uff tool. This is both in terms of higher margins and lower margins. Kind regards Luna Hoffmann
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Hi i would love to have the ability to change the Rms margin of the uff tool. This is both in terms of higher margins and lower margins. Kind regards Luna Hoffmann
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I’d like to draw sugars as clean Haworth projections with the thicker front lines (Wikipedia example attached). However if I draw the closer end with thick lines or wedge and thick lines the edges of the lines do not join. Screenshots attached. Thanks, Joseph
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The current view of the NMR predict, with the molecule, would be copied to clipboard so it can be pasted in the 2D layout or in a presentation directly.
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Every MolDraw update in one feed, newest first.
Hi i would love to have the ability to change the Rms margin of the uff tool. This is both in terms of higher margins and lower margins. Kind regards Luna Hoffmann
Hi Luna, thanks for the suggestion! It’s live now. In the 3D viewer, open Auto-optimise (the pulse icon, or Alt+Shift+O). Under Stop at RMS gradient you can choose: Loose (0.5), for a quick rough shape Default (0.08) Tight (0.01) Very tight (0.001), closest to the true minimum but slowest You can also type any value from 0.0001 to 5 kcal/mol/Å in the box. The change applies straight away: if you tighten it after the structure has settled, it keeps relaxing to the new margin. Your browser remembers the setting. Refresh MolDraw to get it. Let us know how it works for you!