Can anyone reproduce the following? At http://www.ch.ic.ac.uk/rzepa/watoc99/ we mounted part of a poster presented at WATOC99. The interest lies in part in various atom-atom distance. The first structure for example has a Cl...I distance of 3.105A, a value given by inter-alia, the Chem3D plug-in. Chime 2 gives this as 3.409A (I have tried on both Windows and Mac). Various other measured distances also disagree with other programs (by the way, rapidly changing from one plug to another is a doddle on a Mac, but a nightmare on Windows!). However, I should say the effect seems to be localised to molfiles. PDB and other formats appear to give correct answers, and apparently bond angles are not a problem either, so the coordinates are probably OK. Can anyone else either reproduce the problem, or give other instances of divergent measurements between Chime2 and other programs I have passed my observations on to MDL, and will forward anothers as appropriate. Meanwhile, until this issue is clarified, I would advise treating bond distances measured using Chime with care. (PS to invoke the distance measurement, use select/Mouse click action/distance from the pull down menu) Dr Henry Rzepa, Dept. Chemistry, Imperial College, LONDON SW7 2AY; mailto:rzepa@ic.ac.uk; Tel (44) 171 594 5774; Fax: (44) 171 594 5804. URL: http://www.ch.ic.ac.uk/rzepa/ chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)