Hi Tim, Unfortunately we no longer have moleman installed, so I couldn't easily use it. I found a few other options, but none of them transferred the ANISOU records. The solution was to use MAXIT (a pdb format checker) to convert to a cif file and then back to pdb while retaining the ANISOU records.
On Mon, Jan 16, 2012 at 12:07 PM, Tim Gruene <[email protected]>wrote: > -----BEGIN PGP SIGNED MESSAGE----- > Hash: SHA1 > > Hello, > > you mention having used moleman before - what's wrong with it? > > Tim > > On 01/16/2012 05:09 PM, Elizabeth Sprague wrote: > > Hi All, > > Extensive rebuilding of a structure in coot resulted in changes in the > order of the atoms within each residue. I seem to recall experiencing this > reordering before and using MOLEMAN (correct nomenclature) to revert back > to "traditional" ordering of atoms. > > While most programs do not seem to care about the order of atoms in a > residue, ICM does not display correctly unless a "conversion " is made. > > Does anyone have a simple fix for reordering atoms? I appreciate it! > > > > - -- > - -- > Dr Tim Gruene > Institut fuer anorganische Chemie > Tammannstr. 4 > D-37077 Goettingen > > GPG Key ID = A46BEE1A > > -----BEGIN PGP SIGNATURE----- > Version: GnuPG v1.4.10 (GNU/Linux) > Comment: Using GnuPG with Mozilla - http://enigmail.mozdev.org/ > > iD8DBQFPFFlOUxlJ7aRr7hoRAp6BAKC4IzzANkOBi5ijetSRpF/qfBufjgCeM5Qi > AMrF1woiRCQoS1DeGyuPeTY= > =GNMe > -----END PGP SIGNATURE----- > -- Elizabeth Reisinger Sprague
