I was wondering if you could please help to figure out what causes the following error while I try to open this project with version 3.0.1 in both Windows package installed locally and in Linux package on NMRbox:
==> Getting user preferences
==> Language set to `English-UK`
==> Creating new, empty project
INFO : Located at C:\Users\vitaliy\AppData\Local\Temp\CcpnProject_wzz75b8u.ccpn (Logging._info:109)
==> Done, AnalysisAssign is starting
==> Loading CCPN project `C:/Users/vitaliy/Desktop/GAD1_Hia`
INFO : Closing C:/Users/vitaliy/AppData/Local/Temp/CcpnProject_wzz75b8u.ccpn/default (Logging._info:109)
INFO : Project file has moved; adjusting ... (Logging._info:109)
INFO : Backup changed to `C:/Users/vitaliy/Desktop/GAD1_Hia_backup.ccpn` (Logging._info:109)
Correcting Final Result for V2-V3 transition
Error during Exo link dereferencing. Object was: <ccp.molecule.Molecule.MolResidue [`H21A`, 22]>
values were: [`ChemBuild_tjs23_2011-03-14-23-20-04-832_00001`]
tag name was: chemComp
Error loading file for: <ccp.molecule.Molecule.Molecule [`H21A`]>
Reading: <_io.TextIOWrapper name=`C:/Users/vitaliy/Desktop/GAD1_Hia.ccpn/ccpnv3/ccp/molecule/Molecule/H21A+GAD1_Hia_vgorbatyuk_2020-02-12-13-53-50-848_00001.xml` mode=`r` encoding=`cp1252`>
Last xml tag read: _StorageUnit
Parser state was: postprocessing data
Object stack was empty
This project I can open with version 2.5.0 without this problem...
thanks for sending your project. The issue seems to be with Residue 22 of H21A - it seems to be referencing an unusual ChemComp file. This is probably linked to the way that the guys at NMRBox had done the 2.4 install (they had included some bespoke ChemComp files - this is what has been causing other issues with switching from V2.4 to V2.5 in NMRBox). I`ll see if I can track this file down and sort things out for you.
Thank you for looking into my issue. The project I sent is a test project created with V2.4.2. I was using it to figure out how to best amidate the C-terminus, either with a modified amino acid (Hia in my case) or by adding NH3 to the end. When I deleted the chain with NH3 I can open this test project in V3. But I do have a real project with lots of data connected to the same chains and I just can not delete the chain giving me the problem since I am afraid I can loose some information. So if you could help me and find how this can be fixed, I will try to fix the problem in the real project as well (if instructions can be provided...).