Re: [COOT] [ccp4bb] superpose structures .ssm or lsq which is better

2008-12-16 Thread junfeng liu
Thanks Paul and Edwin, I will use SSM first . It looks little better than LSQ . ta liu Paul Emsley wrote: junfeng liu wrote: Dear All, I am overlaying several structures using coot. There are two ways SSM or LSQ can be used in that package. But I got clearly different result form the t

Re: [COOT] [ccp4bb] superpose structures .ssm or lsq which is better

2008-12-16 Thread Paul Emsley
junfeng liu wrote: Dear All, I am overlaying several structures using coot. There are two ways SSM or LSQ can be used in that package. But I got clearly different result form the two methods. In my opinion SSM only works on the secondary structures and LSQ can works on the whole atoms ,ma

[COOT] superpose structures .ssm or lsq which is better

2008-12-16 Thread junfeng liu
Dear All, I am overlaying several structures using coot. There are two ways SSM or LSQ can be used in the package. But I got clearly different result form the two methods. In my opinion SSM only works on the secondary structures and LSQ can works on the whole atoms ,main chain or CA. So t

Re: [COOT] drawing symmetry

2008-12-16 Thread Bobby Barnett
No, I always turn on the symmetry related molecules. Bobby Barnett Original message >Date: Tue, 16 Dec 2008 10:01:23 + >From: Eleanor Dodson >Subject: [COOT] drawing symmetry >To: COOT@JISCMAIL.AC.UK > >Am I alone in thinkingthat the default should be to display symmetry >rela

Re: [COOT] drawing symmetry

2008-12-16 Thread Schubert, Carsten [PRDUS]
Hi Paul, could you please comment on the precedence of the default settings in either ".coot-preferences/coot-preferences.scm" or its python equivalent. The comments in the file state that the user should feel free to edit the values, but not add/delete entries. This could potentially lead to a

Re: [COOT] drawing symmetry

2008-12-16 Thread Paul Emsley
Dirk Kostrewa wrote: Hi Paul, I still have a ".coot" file in my home folder for a few coot preferences that I couldn't find in the new ".coot-preferences/coot-preferences.scm". There is a warning that I should not add commands to this file. So is a "~/.coot" still the proper place to add def

Re: [COOT] Coot 0.5.2 released

2008-12-16 Thread Kevin Cowtan
One more feature: Auto-open MTZ now automatically opens all avilable maps from a file. It recognizes the default map column names from refmac, phenix.refine, phaser, dm, parrot, and pirate. Paul Emsley wrote: o FEATURE: A "Delete Molecule" button is now available in the Display Manag

Re: [COOT] Coot 0.5.2 released

2008-12-16 Thread Phil Evans
hooray NCS now works properly (LSQ not SSM) thanks Paul, Bernhard & Kevin Phil On 15 Dec 2008, at 23:42, Paul Emsley wrote: We are pleased to announce the release of Coot-0.5.2. This is mostly a bug-fix release (of 0.5/0.5.1) but a few new features sneaked in too. source: http://www.ysb

Re: [COOT] drawing symmetry

2008-12-16 Thread Dirk Kostrewa
Hi Paul, I still have a ".coot" file in my home folder for a few coot preferences that I couldn't find in the new ".coot-preferences/coot- preferences.scm". There is a warning that I should not add commands to this file. So is a "~/.coot" still the proper place to add default commands for

Re: [COOT] drawing symmetry

2008-12-16 Thread Dirk Kostrewa
Hi Eleanor, this is the first action that I do after loading a molecule: I display symmetry-related ones. So, I agree, that displaying symmetry-related copies of a molecule should be set to default (as a user-preference, maybe). Dirk. Am 16.12.2008 um 11:01 schrieb Eleanor Dodson: Am I

Re: [COOT] drawing symmetry

2008-12-16 Thread Winter, G (Graeme)
Hi Eleanor, Two things - firstly this could be distracting as the screen could get really very busy. Secondly the amount of computer effort this will need for a big protein could be quite significant. That said, an easy (i.e. to level menu item) called show symmetry could be useful - which would

Re: [COOT] drawing symmetry

2008-12-16 Thread Paul Emsley
Eleanor Dodson wrote: Am I alone in thinking that the default should be to display symmetry related molecules - not to have it turned off? No, not at all. If you think it should be the default for your or your group, then add (set-show-symmetry-master 1) to the appropriate file. Paul.

[COOT] drawing symmetry

2008-12-16 Thread Eleanor Dodson
Am I alone in thinkingthat the default should be to display symmetry related molecules - not to have it turned off? Eleanor