Re: [COOT] Linking two sidechains with a double bond and refining

2023-07-31 Thread Joel Tyndall
Hi, Not looking deep at your sequence/link, have you tried to move the link to a single bond and avoid the double as the linked bond? This way you can paraetrise the double bond correctly. Not sure is global phasing could help.. Joel -Original Message- From: Mailing list for users of

Re: [COOT] Merge

2022-03-14 Thread Joel Tyndall
Please ignore this... found in under Edit From: Mailing list for users of COOT Crystallographic Software On Behalf Of Joel Tyndall Sent: Tuesday, 15 March 2022 2:39 PM To: COOT@JISCMAIL.AC.UK Subject: Merge Hi folks, I cant find Merge... Its not under the Calculate menu as it states

[COOT] Merge

2022-03-14 Thread Joel Tyndall
Hi folks, I cant find Merge... Its not under the Calculate menu as it states in the pdf online... “5.28 Merge Molecules This dialog can be found under “Calculate” in the main menubar.” I can work around... but would be handy to know where its gone Using Coot 0.9.4 via phenix (1.20) J Joel

Re: [COOT] symmetry related molecules

2015-05-18 Thread Joel Tyndall
it's a great workaround Thanks J From: Joel Tyndall Sent: Monday, 18 May 2015 4:45 p.m. To: Joel Tyndall; COOT@JISCMAIL.AC.UK Subject: RE: symmetry related molecules Oops, meant to say its 2 molecules per asymmetric unit J From: Mailing list for users of COOT Crystallographic Software

[COOT] symmetry related molecules

2015-05-17 Thread Joel Tyndall
. There is no overlap crossover what-so-ever but there are numerous contacts. Is there something I am missing? J _ Joel Tyndall, PhD Associate Professor in Medicinal Chemistry National School of Pharmacy University of Otago PO Box 56 Dunedin 9054 New Zealand Skype: jtyndall

Re: [COOT] symmetry related molecules

2015-05-17 Thread Joel Tyndall
Oops, meant to say its 2 molecules per asymmetric unit J From: Mailing list for users of COOT Crystallographic Software [mailto:COOT@JISCMAIL.AC.UK] On Behalf Of Joel Tyndall Sent: Monday, 18 May 2015 4:11 p.m. To: COOT@JISCMAIL.AC.UK Subject: symmetry related molecules Hi all, I have

[COOT] Coot-Phenix boot

2015-03-11 Thread Joel Tyndall
for windows? When I launch it without Phenix I also see the error could not import coot.py Other than that Coot works well J _ Joel Tyndall, PhD Associate Professor in Medicinal Chemistry National School of Pharmacy University of Otago PO Box 56 Dunedin 9054 New