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cdx export #941

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even1024 opened this issue Dec 19, 2022 · 1 comment
Closed

cdx export #941

even1024 opened this issue Dec 19, 2022 · 1 comment
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@even1024
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Indigo-1.10.0-rc.2

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@even1024
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Implement export to CDX format, add corresponding functions to Indigo API including WASM and remote Indigo service.
@even1024 even1024 added this to the indigo-1.9.0 milestone Dec 19, 2022
@even1024 even1024 self-assigned this Dec 19, 2022
@vanoprenko vanoprenko removed the rc2 label Dec 22, 2022
@vanoprenko vanoprenko changed the title cdx export in scope of KET format cdx export Jan 17, 2023
@even1024
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implemented in 1.10-rc.1
#1008

even1024 added a commit that referenced this issue Jan 30, 2023
@even1024
cdx export #941 (#1008)
9a4423f 
* rgroups (#946)

Co-authored-by: Roman Porozhnetov <roman_porozhnetov@epam.com>

* CDX import: Reaction arrows disappear when opening a file #943 (#948)

* marvin cdx fix

* clang fix

Co-authored-by: Roman Porozhnetov <roman_porozhnetov@epam.com>

* bond order fix

* clang fix

* test fix

* cdx export

* clang fixes

* cdx python binding

* clang fixes

* api fixes

* cdx export

* indigo py fix

* cdx

* cdx

* cdx fixes

* clang fix

* PR comments

* clang fix

* pr fix

* pr fix

* b64cdx java&dotnet fix

* b64cdx java&dotnet fix

* b64cdx java&dotnet fix

* diff fix

* test fix

* clang fix

* mol_to_cdx.out deleted

* clang fix

* tests fix

* tests fix

* tests fix

* tests fix

* tests fix

* tests fix

* tests fix

* tests fix

---------

Co-authored-by: Roman Porozhnetov <roman_porozhnetov@epam.com>
even1024 added a commit that referenced this issue Jan 30, 2023
@even1024
cdx export #941 (#1012)
a7d0a74 
* rgroups (#946)

Co-authored-by: Roman Porozhnetov <roman_porozhnetov@epam.com>

* CDX import: Reaction arrows disappear when opening a file #943 (#948)

* marvin cdx fix

* clang fix

Co-authored-by: Roman Porozhnetov <roman_porozhnetov@epam.com>

* bond order fix

* clang fix

* test fix

* cdx export

* clang fixes

* cdx python binding

* clang fixes

* api fixes

* cdx export

* indigo py fix

* cdx

* cdx

* cdx fixes

* clang fix

* PR comments

* clang fix

* pr fix

* pr fix

* b64cdx java&dotnet fix

* b64cdx java&dotnet fix

* b64cdx java&dotnet fix

* diff fix

* test fix

* clang fix

* mol_to_cdx.out deleted

* clang fix

* tests fix

* tests fix

* tests fix

* tests fix

* tests fix

* tests fix

* tests fix

* tests fix

* fix dir

* fix dir

* fix dir

---------

Co-authored-by: Roman Porozhnetov <roman_porozhnetov@epam.com>
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