Re: [ccp4bb] AW: Going back to Coot 0.8

2020-09-17 Thread Robert Nicholls
Hello Dirk, Upon reviewing this thread I saw your comment: > On 11 Sep 2020, at 08:41, Dirk Kostrewa > wrote: > > I'm still convinced since the beginning of Coot, that an implementation of > hydrogen-bond potentials in the RSR would give a huge improvement and > probably renders the use of s

Re: [ccp4bb] AW: Going back to Coot 0.8

2020-09-11 Thread Dirk Kostrewa
Hi Paul, thanks - I've setup my own key bindings, already ;-) Cheers, Dirk. On 11.09.20 12:34, Paul Emsley wrote: Maybe because I've never attended a Coot course? And maybe because, I've even never searched for Coot tutorials because the usage of Coot was (almost) always very intuitive? I am

Re: [ccp4bb] AW: Going back to Coot 0.8

2020-09-11 Thread Paul Emsley
Maybe because I've never attended a Coot course? And maybe because, I've even never searched for Coot tutorials because the usage of Coot was (almost) always very intuitive? I am open for any new developments OK "Pro Tip of the Day!" then... Edit -> Settings -> Install Template Key Bindings

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] AW: Going back to Coot 0.8

2020-09-11 Thread Frank von Delft
est, Eike -Original Message- From: CCP4 bulletin board on behalf of Georg Zocher Reply to: Georg Zocher Date: Wednesday, 9. September 2020 at 22:17 To: "CCP4BB@JISCMAIL.AC.UK" Subject: Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] AW: Going back to Coot 0.8 Dear Herman, Am

Re: [ccp4bb] AW: Going back to Coot 0.8

2020-09-11 Thread Dirk Kostrewa
Dear Paul, I'm using Coot since its first April 2000 version and see a lot of improvements since then - so, really many thanks for your development! In version 0.9, I like the much improved interface (I didn't like the ever growing complex Extra menu), and from a recent practical course, the

Re: [ccp4bb] AW: Going back to Coot 0.8

2020-09-10 Thread Paul Emsley
I'm not against the old style of coffee, I just don't know why anyone would want to drink it now that the new stuff is available. I am not against choice, it just needs to be clear to me why it is necessary. Having thought about this a bit, I think that there are two major differences in the real

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] AW: Going back to Coot 0.8

2020-09-10 Thread Robbie Joosten
L.AC.UK > Subject: Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] AW: Going back to Coot 0.8 > > Hi Eike, > > one of the points is that, only because you got used to a certain operation > (over many years after someone showed it to you), does not mean it is > intuitive. This could be judged

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] AW: Going back to Coot 0.8

2020-09-09 Thread Tim Gruene
letin board on behalf of Georg > Zocher Reply to: Georg Zocher > Date: Wednesday, 9. September 2020 at 22:17 > To: "CCP4BB@JISCMAIL.AC.UK" > Subject: Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] AW: Going back to Coot > 0.8 > > Dear Herman, > > Am 09.09.202

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] AW: Going back to Coot 0.8

2020-09-09 Thread Schulz, Eike-Christian
] [EXTERNAL] Re: [ccp4bb] AW: Going back to Coot 0.8 Dear Herman, Am 09.09.2020 um 17:46 schrieb Schreuder, Herman /DE: > The old real-space refinement was intuitive and easy to use and did exactly what the user expected, without having to consult the manual!😊 The result might not have

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] AW: Going back to Coot 0.8

2020-09-09 Thread Georg Zocher
Dear Herman, Am 09.09.2020 um 17:46 schrieb Schreuder, Herman /DE: The old real-space refinement was intuitive and easy to use and did exactly what the user expected, without having to consult the manual!😊 The result might not have been perfect, but was good enough for subsequent Refmac, Buste

Re: [ccp4bb] AW: Going back to Coot 0.8

2020-09-09 Thread Georg Zocher
Dear Tim, I really like your example. Has anyone of the disappointed users asked how to do it properly? Maybe it is just as easy. I think it's also up to me to do it properly and put more effort in it. Often we are restrained in time and improving your toolboox in an unexpected manner is ha

Re: [ccp4bb] AW: Going back to Coot 0.8

2020-09-09 Thread Tim Gruene
Dear Georg and others, if I followed the thread correctly, the coffee story should really go like this: for years you have been pushing the button of a machine showing a cup with a black liquid inside. After ten years, the manufacturer of the machine tells you: "Sorry guy, it is not coffee what

[ccp4bb] AW: [EXTERNAL] Re: [ccp4bb] AW: Going back to Coot 0.8

2020-09-09 Thread Schreuder, Herman /DE
: Mittwoch, 9. September 2020 17:22 An: CCP4BB@JISCMAIL.AC.UK Betreff: [EXTERNAL] Re: [ccp4bb] AW: Going back to Coot 0.8 EXTERNAL : Real sender is owner-ccp...@jiscmail.ac.uk Dear Paul, people are complaining that they have issues fitting their model in real space using coot 0.9.x

Re: [ccp4bb] AW: Going back to Coot 0.8

2020-09-09 Thread Georg Zocher
Dear Paul, people are complaining that they have issues fitting their model in real space using coot 0.9.x. Personally, I very briefly used coot other the last months but also have problems using RSR properly because I'm used to do it the way it was over the last 10 years. This might be due to

Re: [ccp4bb] AW: Going back to Coot 0.8

2020-09-09 Thread Schulz, Eike-Christian
Subject: Re: [ccp4bb] AW: Going back to Coot 0.8 On 08/09/2020 16:25, Georg Zocher wrote: > > > we have the same experience in our lab. What experience is that? I am still in the dark about you think is now worse. > Personally, I did would not like to

Re: [ccp4bb] AW: Going back to Coot 0.8

2020-09-08 Thread Paul Emsley
On 08/09/2020 16:25, Georg Zocher wrote: we have the same experience in our lab. What experience is that? I am still in the dark about you think is now worse. Personally, I did would not like to judge here, as so far, I did not have had enough time to get into the new RSR of coot 0.9.x

Re: [ccp4bb] AW: Going back to Coot 0.8

2020-09-08 Thread Georg Zocher
board on behalf of Paul Emsley Reply to: Paul Emsley Date: Saturday, 5. September 2020 at 02:05 To: "CCP4BB@JISCMAIL.AC.UK" Subject: Re: [ccp4bb] AW: [EXTERNAL] Re: [ccp4bb] AW: Going back to Coot 0.8 Dear Eike, Yes, it helps a little. Changing weights on swi

Re: [ccp4bb] AW: Going back to Coot 0.8

2020-09-07 Thread Paul Emsley
bulletin board on behalf of Paul Emsley Reply to: Paul Emsley Date: Saturday, 5. September 2020 at 02:05 To: "CCP4BB@JISCMAIL.AC.UK" Subject: Re: [ccp4bb] AW: [EXTERNAL] Re: [ccp4bb] AW: Going back to Coot 0.8 Dear Eike, Yes, it helps a little. Changing weights o

Re: [ccp4bb] AW: Going back to Coot 0.8

2020-09-07 Thread Schulz, Eike-Christian
oot -Original Message- From: CCP4 bulletin board on behalf of Paul Emsley Reply to: Paul Emsley Date: Saturday, 5. September 2020 at 02:05 To: "CCP4BB@JISCMAIL.AC.UK" Subject: Re: [ccp4bb] AW: [EXTERNAL] Re: [ccp4bb] AW: Going back to Coot 0.8 Dear Eike, Yes, it h

Re: [ccp4bb] AW: [EXTERNAL] Re: [ccp4bb] AW: Going back to Coot 0.8

2020-09-04 Thread Paul Emsley
---Original Message- From: CCP4 bulletin board on behalf of "Schreuder, Herman /DE" Reply to: "Schreuder, Herman /DE" Date: Friday, 4. September 2020 at 15:02 To: "CCP4BB@JISCMAIL.AC.UK" Subject: [ccp4bb] AW: [EXTERNAL] Re: [ccp4bb] AW: Going back to Coot 0.8

Re: [ccp4bb] AW: [EXTERNAL] Re: [ccp4bb] AW: Going back to Coot 0.8

2020-09-04 Thread Schulz, Eike-Christian
escribe problem. Best, Eike -Original Message- From: CCP4 bulletin board on behalf of "Schreuder, Herman /DE" Reply to: "Schreuder, Herman /DE" Date: Friday, 4. September 2020 at 15:02 To: "CCP4BB@JISCMAIL.AC.UK" Subject: [ccp4bb] AW: [EXTERNAL] R

[ccp4bb] AW: [EXTERNAL] Re: [ccp4bb] AW: Going back to Coot 0.8

2020-09-04 Thread Schreuder, Herman /DE
: [ccp4bb] AW: Going back to Coot 0.8 EXTERNAL : Real sender is owner-ccp...@jiscmail.ac.uk Dear Frustrated Coot 0.9 Users, I'd like to let you know that you I have heard similar reports in the recent past (including, as you can see, from EJD). I have taken what I believe to be remedial a

Re: [ccp4bb] AW: Going back to Coot 0.8

2020-09-04 Thread Eleanor Dodson
Dear Users - yes , I had shared my frustrations with Paul, mostly caused I must say because COOT now worries (excessively I think) about atom clashes and wouldn't let me drag an ARG or HIS or GLU into the obvious density till I had deleted any rogue waters.. However there are real gains - Tandem

Re: [ccp4bb] AW: Going back to Coot 0.8

2020-09-04 Thread Paul Emsley
Dear Frustrated Coot 0.9 Users, I'd like to let you know that you I have heard similar reports in the recent past (including, as you can see, from EJD). I have taken what I believe to be remedial action to address the most pressing issue. I think the situation has arisen because Coot users are

[ccp4bb] AW: Going back to Coot 0.8

2020-09-04 Thread Schreuder, Herman /DE
Dear Paul, Here I fully agree with Eike. With the real space refinement in the new coot the ligand often goes everywhere, except where it should go. Changing the Xray weight helps sometimes, but not always. In many cases I do not real-space refine and leave it to Buster to do the refinement. It