 |
 |
 |
 |
 |
 |
||
 |
 |
 |
 |
 |
| 8 | 1/1 | 返回列表 |
| 查看: 3210 | 回復(fù): 7 | ||
李老師至尊木蟲(chóng) (職業(yè)作家)
|
[求助]
CCDC更新包求助，jade軟件求助 已有2人參與
|
  求新的CCDC更新包，目前自己的CCDC更新到2019年7月，大神有沒(méi)有后來(lái)的更新包，非常感謝發(fā)給我郵箱2366205123@qq.com。還有一個(gè)jade 9.0版的軟件，非常感謝。 |
回復(fù)此樓» 猜你喜歡
中南大學(xué)易小藝課題組誠(chéng)招2026申請(qǐng)-考核制博士生
已經(jīng)有0人回復(fù)
-
海南師范大學(xué)招收化學(xué)博士（光電功能材料課題組招收博士研究生）
已經(jīng)有11人回復(fù)
-
無(wú)機(jī)化學(xué)論文潤(rùn)色/翻譯怎么收費(fèi)?
已經(jīng)有147人回復(fù)
-
求助幾個(gè)團(tuán)簇的cif
已經(jīng)有0人回復(fù)
-
急求該反應(yīng)的詳細(xì)機(jī)理
已經(jīng)有5人回復(fù)
-
【Ei | Scopus 雙檢索】2026年智能交通與未來(lái)出行國(guó)際會(huì)議（CSTFM 2026）
已經(jīng)有0人回復(fù)
-
【EI|Scopus 雙檢索】2026年第六屆機(jī)器人與人工智能?chē)?guó)際會(huì)議（JCRAI 2026）
已經(jīng)有0人回復(fù)
-
zotero的advanced material模板沒(méi)有更新，有人有新版的cls文件嗎
已經(jīng)有2人回復(fù)
-
【高校聯(lián)合舉辦】2026年第五屆服務(wù)機(jī)器人國(guó)際會(huì)議（ICoSR 2026）
已經(jīng)有0人回復(fù)
-
深圳大學(xué)化學(xué)與環(huán)境工程學(xué)院超分子團(tuán)隊(duì)招收2026級(jí)申請(qǐng)-考核制博士生
已經(jīng)有8人回復(fù)
xuanyuanjie
至尊木蟲(chóng) (職業(yè)作家)
木蟲(chóng)隱修士
- 應(yīng)助: 10 (幼兒園)
- 金幣: 19292.8
- 散金: 196
- 紅花: 25
- 帖子: 3005
- 在線: 229.1小時(shí)
- 蟲(chóng)號(hào): 453112
- 注冊(cè): 2007-11-06
- 性別: GG
- 專(zhuān)業(yè): 配位化學(xué)
2樓2019-12-17 23:48:29
|
本帖內(nèi)容被屏蔽 |
3樓2019-12-18 13:56:35
xuanyuanjie
至尊木蟲(chóng) (職業(yè)作家)
木蟲(chóng)隱修士
- 應(yīng)助: 10 (幼兒園)
- 金幣: 19292.8
- 散金: 196
- 紅花: 25
- 帖子: 3005
- 在線: 229.1小時(shí)
- 蟲(chóng)號(hào): 453112
- 注冊(cè): 2007-11-06
- 性別: GG
- 專(zhuān)業(yè): 配位化學(xué)
4樓2019-12-18 15:32:02
brilliant
捐助貴賓 (職業(yè)作家)
- 應(yīng)助: 118 (高中生)
- 金幣: 12309.3
- 散金: 262
- 紅花: 47
- 帖子: 4907
- 在線: 1107.3小時(shí)
- 蟲(chóng)號(hào): 71523
- 注冊(cè): 2005-05-31
- 性別: GG
- 專(zhuān)業(yè): 配位化學(xué)
【答案】應(yīng)助回帖
感謝參與，應(yīng)助指數(shù) +1
|
he 2020.0 CSD Release is now available! We are pleased to announce some exciting new updates to the CSD-Discovery, CSD-Materials and CSD-System software suites as well as a new data update. For users of CSD-Discovery: We have further optimised GOLD for use in ultra-large docking projects This release enables: • The running of the GOLD docking algorithm using fast settings on cloud architectures, with automated selection of the best scoring results • Docking of tens of millions of compounds in timescales convenient for structure-based drug design programmes The chemical space of drug-like molecules is vast, but this approach allows users to effectively screen a very wide space of potential drugs whilst retaining most of the accuracy of GOLD. For users of CSD-Materials: Quick and easy hydrogen-bond likelihood analysis with new H-bond Coordination Quick-View This release enables: • Quick assessment of the likelihood of H-bond behaviour based on H-bond coordination numbers in the observed structure The H-bond Coordination Quick-View feature will enable users to quickly assess the likelihood of hydrogen-bonding behaviour purely on coordination numbers for the loaded model. Calculated likelihoods are displayed for allowed coordination numbers for each donor and acceptor observed in the current structure and are computed using CSD-derived models. Find out more here: https://www.ccdc.cam.ac.uk/Commu ... ination-quick-view/ For users of CSD-System: Py3 CSD Python API This release enables: • Python 3.7 as the default version for all CSD applications • The CSD Python API will be Python 3 enabled straightaway at the point of installation • Easy integration with other key scientific Python packages This release will incorporate Python 3 by default, with the miniconda version of the CSD Python API bundled within the 2020.0 CSD Release running on Python 3.7. This means that the CSD Python API will be Python 3 enabled straight away at the point of installation and easy to integrate with other key scientific Python packages like TensorFlow, scikit-learn, matplotlib, pandas and RDKit. Find out more here: https://www.ccdc.cam.ac.uk/Community/blog/python-3-and-the-csd CSD Pipeline Pilot Component Collection One of our main objectives in the last few years has been to unlock valuable CSD data and scientific features from our pre-packaged desktop and web-based applications. Integrating our tools with other platforms is the key to enable this and to make CSD data more accessible and useful to the scientific community. Our preferred mechanism to do so is currently the CSD Python API which has been available for some time, however, as a way of exploring what we need to improve to make it easier to integrate the third party tools, we’ve been looking at some in-house integrations, and the CSD Pipeline Pilot Component Collection is one of those. For this first version, available as part of the 2020.0 CSD release, we have selected the components we think are most useful, including CSD data access and search nodes, model validation, CSDS viewer nodes, conformer generation and basic virtual screening. Alongside the components there are also some exemplar protocols available, including CSD Searching, Python examples and virtual screening and conformer generation, which demonstrate how you could use and combine those components within your own workflows. The CSD Pipeline Pilot Component Collection is currently only available to our Research Partners but will be extended to CSD-System licence holders in 2020. Product Telemetry As part of the 2020.0 CSD Release we've implemented an entirely opt-in Product Telemetry system in our software which is able to capture information about which components have been used and on what kind of operating system. Recording some basic, anonymous diagnostic data on the user frequency of CSD components across our software will help us make better data-driven decisions to inform the direction of our software and ensure maximum value for you as a user. This data is anonymous, so we don't capture information such as usernames, IP addresses, site information or e-mail addresses, and we don't analyse what the user is doing, only which software component has been used. As mentioned previously, our Product Telemetry system is also entirely opt-in, so you have complete control over whether you choose to send us back this telemetry information or not. You will be asked whether you would like to opt-in upon installation of the latest version of the software. Find out more here: https://www.ccdc.cam.ac.uk/Commu ... -application-usage/ Updates to licensing The current licensing system for the CSD has served us well for over 20 years, but it has its limitations including tying us in to a yearly release cycle and limiting the components that we may individually licence. Therefore, as part of this release we have rolled out the installation of new licensing software which will immediately allow us to increase the flexibility of how you access the CSD System. To find out more about this update and what it means for you visit our website: https://www.ccdc.cam.ac.uk/Community/blog/licensing-updates/ Data updates: In the last year we have seen the released CSD grow to over one million structures for the first time; a huge milestone in structural chemistry. The continued growth in data and the increasing diversity and complexity of new structures means that users can have more confidence in their results and gain even more insights from the database. This year’s release: • Takes the CSD to 1,016,168 unique structures (1,034,174 entries) • Comprises over 60,000 new entries • Includes over 5,000 new CSD Communications • Targeted enhancements to existing CSD entries Find out more here: https://www.ccdc.cam.ac.uk/Commu ... -20200-csd-release/ Installing the software The 2020.0 CSD release will require a complete re-installation of the software and data. To obtain the new installers, please go to https://www.ccdc.cam.ac.uk/support-and-resources/csdsdownloads/ and enter your customer number and activation code that should have been provided to you in order to obtain a set of download links. The Release & Installation notes provided in these links will contain full details on how to install and licence the software. Best wishes The CCDC team |
5樓2019-12-20 09:52:20
STORYTELLER
銅蟲(chóng) (小有名氣)
- 應(yīng)助: 1 (幼兒園)
- 金幣: 21.9
- 紅花: 1
- 帖子: 101
- 在線: 98.4小時(shí)
- 蟲(chóng)號(hào): 3656603
- 注冊(cè): 2015-01-21
- 專(zhuān)業(yè): 物理化學(xué)
6樓2019-12-24 17:50:46
STORYTELLER
銅蟲(chóng) (小有名氣)
- 應(yīng)助: 1 (幼兒園)
- 金幣: 21.9
- 紅花: 1
- 帖子: 101
- 在線: 98.4小時(shí)
- 蟲(chóng)號(hào): 3656603
- 注冊(cè): 2015-01-21
- 專(zhuān)業(yè): 物理化學(xué)
7樓2019-12-24 17:52:12
李老師
至尊木蟲(chóng) (職業(yè)作家)
- 應(yīng)助: 53 (初中生)
- 貴賓: 0.443
- 金幣: 18644.9
- 散金: 257
- 紅花: 114
- 帖子: 3088
- 在線: 389.5小時(shí)
- 蟲(chóng)號(hào): 4742151
- 注冊(cè): 2016-05-31
- 性別: GG
- 專(zhuān)業(yè): 催化化學(xué)
8樓2019-12-24 21:29:37
相關(guān)版塊跳轉(zhuǎn)
我要訂閱樓主 DMF分子 的主題更新
| 8 | 1/1 | 返回列表 |
| 最具人氣熱帖推薦 [查看全部] | 作者 | 回/看 | 最后發(fā)表 | |
|---|---|---|---|---|
|
[考研] 一志愿中科大080500總分324求調(diào)劑 +3 | jorna 2026-03-03 | 6/300 |
|
|---|---|---|---|---|
|
|
[考研] 295求調(diào)劑 +6 | 等春來(lái)， 2026-03-04 | 6/300 |
|
|
|
[考研] 290求調(diào)劑 +3 | Bananaiy 2026-03-04 | 3/150 |
|
|
|
[考研] 求調(diào)劑 +3 | 泡了個(gè)椒 2026-03-04 | 3/150 |
|
|
|
[論文投稿]
 主編終審卡者不動(dòng)
 100+3
|
Stray2021 2026-03-03 | 3/150 |
|
|
|
[考研] 281求調(diào)劑 +3 | 我是小小蔥蔥 2026-03-03 | 5/250 |
|
|
|
[考研] 中國(guó)科學(xué)技術(shù)大學(xué)材料與化工281求調(diào)劑，有科研和獲獎(jiǎng)經(jīng)歷 +9 | wsxw 2026-03-02 | 10/500 |
|
|
[考博] 26申博 +5 | north， 2026-02-28 | 5/250 |
|
|
|
[考研] 264求調(diào)劑 +7 | 26調(diào)劑 2026-03-03 | 7/350 |
|
|
|
[考研] 306求調(diào)劑 +7 | 張張張張oo 2026-03-03 | 7/350 |
|
|
|
[考研] 298求調(diào)劑 +3 | 人間唯你是清歡 2026-03-03 | 4/200 |
|
|
|
[考研] 一志愿華中科技大學(xué)，化學(xué)專(zhuān)業(yè)344分，求調(diào)劑 +6 | 邢x(chóng)ing1 2026-03-02 | 6/300 |
|
|
|
[考研] 材料工程求調(diào)劑 +3 | 1431251 2026-03-03 | 3/150 |
|
|
|
[考研] 調(diào)劑 +5 | 13853210211 2026-03-02 | 7/350 |
|
|
|
[考研] 清華大學(xué) 材料與化工 353分求調(diào)劑 +5 | awaystay 2026-03-02 | 6/300 |
|
|
|
[考研] 290分材料工程085601求調(diào)劑 數(shù)二英一 +8 | llx0610 2026-03-02 | 9/450 |
|
|
|
[考研] 0856材料調(diào)劑 +5 | 沿岸有貝殼OUC 2026-03-02 | 5/250 |
|
|
|
[考研] 085600材料工程一志愿中科大總分312求調(diào)劑 +9 | 吃宵夜1 2026-02-28 | 11/550 |
|
|
|
[考研] 275求調(diào)劑 +7 | 明遠(yuǎn)求學(xué) 2026-03-01 | 7/350 |
|
|
|
[考研] 272求調(diào)劑 +6 | 田智友 2026-02-28 | 6/300 |
|