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Re: [ccp4bb] List of conserved waters |
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- Protein crystallographyMain steps:- Protein purification- Crystallisation Special:- Programs for crystallography- X-ray detectors Basic tutorials:- Chemistry- Protein - Peptide - Amino Acids Xtal community:- CCP4BB |
CCP4bb navigationCCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999Subject: Re: List of conserved waters From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK Date: 2008-09-01 You can use the ancient but useful watertidy script - that assigns water names coded according to the residue they are linked to. So ones with the same link code are related.. But I also use distang. Make a file with the two or more sets of waters - then do a distance search with the appropriate water radius. Eleanor Thus Tim Gruene wrote: > Hello, > > I am (lazily ;-)) looking for a program that list all conserved waters > between to structures (after superposition), i.e. all waters between > both structures within a certain distance cut-off. > > Could anyone please point me to a program that does this? > > Thanks a lot, Tim > > -- > Tim Gruene > Institut fuer anorganische Chemie > Tammannstr. 4 > D-37077 Goettingen > > GPG Key ID = A46BEE1A > > CCP4bb navigationCCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999 |
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