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Spot2pdb: Difference between revisions
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* Since <code>dials.rs_mapper</code> uses the STARTING_ANGLE information from the frame headers, the mappings can only agree if <code>XDS.INP</code> also has this item. [[generate_XDS.INP]] versions since 0.82 write <code>XDS.INP</code> with STARTING_ANGLE information; earlier versions don't. | * Since <code>dials.rs_mapper</code> uses the STARTING_ANGLE information from the frame headers, the mappings can only agree if <code>XDS.INP</code> also has this item. [[generate_XDS.INP]] versions since 0.82 write <code>XDS.INP</code> with STARTING_ANGLE information; earlier versions don't. | ||
* if no <code>XPARM.XDS</code> exists, one may use [ftp://turn5.biologie.uni-konstanz.de/pub/linux_bin/generate_XPARM.XDS XDS.INP as a source of geometry information] for <code>spot2pdb</code>. | * if no <code>XPARM.XDS</code> exists, one may use [ftp://turn5.biologie.uni-konstanz.de/pub/linux_bin/generate_XPARM.XDS XDS.INP as a source of geometry information] for <code>spot2pdb</code>. | ||
* <code>coot</code> connects atoms that are close, have residue numbers differing by at most 1, and are in the same chain, with bonds (lines). The program makes an attempt to avoid such lines by cycling through chain names; the proper solution would be <code>coot</code>'s ''display objects''. | * <code>coot</code> connects atoms that are close, have residue numbers differing by at most 1, and are in the same chain, with bonds (lines) (Paul Emsley, personal communication). The program makes an attempt to avoid such lines by cycling through chain names; the proper solution would be <code>coot</code>'s ''display objects'' (Paul Emsley, personal communication). | ||